2-butyl-4-methyl-1,3-oxazole;2-butyl-5-methyl-1,3-oxazole;5-butyl-2-methyl-1,3-oxazole;2-butyl-1-methylpyrrole;2-butyl-1,3-oxazole;5-butyl-1,3-oxazole;bis(N-[(2-fluorophenyl)methyl]ethanamine);N-[(4-fluorophenyl)methyl]ethanamine;N-(pyrimidin-4-ylmethyl)ethanamine

C81H123F3N12O5 — CID 163474061

IUPAC2-butyl-4-methyl-1,3-oxazole;2-butyl-5-methyl-1,3-oxazole;5-butyl-2-methyl-1,3-oxazole;2-butyl-1-methylpyrrole;2-butyl-1,3-oxazole;5-butyl-1,3-oxazole;bis(N-[(2-fluorophenyl)methyl]ethanamine);N-[(4-fluorophenyl)methyl]ethanamine;N-(pyrimidin-4-ylmethyl)ethanamine
SMILESCCCCc1cccn1C.CCCCc1cnc(C)o1.CCCCc1cnco1.CCCCc1nc(C)co1.CCCCc1ncc(C)o1.CCCCc1ncco1.CCNCc1ccc(F)cc1.CCNCc1ccccc1F.CCNCc1ccccc1F.CCNCc1ccncn1
InChIInChI=1S/3C9H12FN.C9H15N.3C8H13NO.C7H11N3.2C7H11NO/c1-2-11-7-8-3-5-9(10)6-4-8;2*1-2-11-7-8-5-3-4-6-9(8)10;1-3-4-6-9-7-5-8-10(9)2;1-3-4-5-8-6-9-7(2)10-8;1-3-4-5-8-9-7(2)6-10-8;1-3-4-5-8-9-6-7(2)10-8;1-2-8-5-7-3-4-9-6-10-7;1-2-3-4-7-5-8-6-9-7;1-2-3-4-7-8-5-6-9-7/h3*3-6,11H,2,7H2,1H3;5,7-8H,3-4,6H2,1-2H3;3*6H,3-5H2,1-2H3;3-4,6,8H,2,5H2,1H3;2*5-6H,2-4H2,1H3
InChIKeyBYXPKLBFBCVSMP-UHFFFAOYSA-N
MW1401.95 g/mol
LogP19.77
Rot. Bonds30

About 2-butyl-4-methyl-1,3-oxazole;2-butyl-5-methyl-1,3-oxazole;5-butyl-2-methyl-1,3-oxazole;2-butyl-1-methylpyrrole;2-butyl-1,3-oxazole;5-butyl-1,3-oxazole;bis(N-[(2-fluorophenyl)methyl]ethanamine);N-[(4-fluorophenyl)methyl]ethanamine;N-(pyrimidin-4-ylmethyl)ethanamine

2-butyl-4-methyl-1,3-oxazole;2-butyl-5-methyl-1,3-oxazole;5-butyl-2-methyl-1,3-oxazole;2-butyl-1-methylpyrrole;2-butyl-1,3-oxazole;5-butyl-1,3-oxazole;bis(N-[(2-fluorophenyl)methyl]ethanamine);N-[(4-fluorophenyl)methyl]ethanamine;N-(pyrimidin-4-ylmethyl)ethanamine (PubChem CID 163474061) has the molecular formula C81H123F3N12O5 and a molecular weight of 1401.95 g/mol. Its IUPAC name is 2-butyl-4-methyl-1,3-oxazole;2-butyl-5-methyl-1,3-oxazole;5-butyl-2-methyl-1,3-oxazole;2-butyl-1-methylpyrrole;2-butyl-1,3-oxazole;5-butyl-1,3-oxazole;bis(N-[(2-fluorophenyl)methyl]ethanamine);N-[(4-fluorophenyl)methyl]ethanamine;N-(pyrimidin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-butyl-4-methyl-1,3-oxazole;2-butyl-5-methyl-1,3-oxazole;5-butyl-2-methyl-1,3-oxazole;2-butyl-1-methylpyrrole;2-butyl-1,3-oxazole;5-butyl-1,3-oxazole;bis(N-[(2-fluorophenyl)methyl]ethanamine);N-[(4-fluorophenyl)methyl]ethanamine;N-(pyrimidin-4-ylmethyl)ethanamine
PubChem CID163474061
Molecular FormulaC81H123F3N12O5
Molecular Weight1401.95 g/mol
Exact Mass1400.97
IUPAC Name2-butyl-4-methyl-1,3-oxazole;2-butyl-5-methyl-1,3-oxazole;5-butyl-2-methyl-1,3-oxazole;2-butyl-1-methylpyrrole;2-butyl-1,3-oxazole;5-butyl-1,3-oxazole;bis(N-[(2-fluorophenyl)methyl]ethanamine);N-[(4-fluorophenyl)methyl]ethanamine;N-(pyrimidin-4-ylmethyl)ethanamine
SMILESCCCCc1cccn1C.CCCCc1cnc(C)o1.CCCCc1cnco1.CCCCc1nc(C)co1.CCCCc1ncc(C)o1.CCCCc1ncco1.CCNCc1ccc(F)cc1.CCNCc1ccccc1F.CCNCc1ccccc1F.CCNCc1ccncn1
InChIInChI=1S/3C9H12FN.C9H15N.3C8H13NO.C7H11N3.2C7H11NO/c1-2-11-7-8-3-5-9(10)6-4-8;2*1-2-11-7-8-5-3-4-6-9(8)10;1-3-4-6-9-7-5-8-10(9)2;1-3-4-5-8-6-9-7(2)10-8;1-3-4-5-8-9-7(2)6-10-8;1-3-4-5-8-9-6-7(2)10-8;1-2-8-5-7-3-4-9-6-10-7;1-2-3-4-7-5-8-6-9-7;1-2-3-4-7-8-5-6-9-7/h3*3-6,11H,2,7H2,1H3;5,7-8H,3-4,6H2,1-2H3;3*6H,3-5H2,1-2H3;3-4,6,8H,2,5H2,1H3;2*5-6H,2-4H2,1H3
InChIKeyBYXPKLBFBCVSMP-UHFFFAOYSA-N
XLogP19.77
TPSA208.98 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds30
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001401.95
LogP ≤ 519.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Analyze 2-butyl-4-methyl-1,3-oxazole;2-butyl-5-methyl-1,3-oxazole;5-butyl-2-methyl-1,3-oxazole;2-butyl-1-methylpyrrole;2-butyl-1,3-oxazole;5-butyl-1,3-oxazole;bis(N-[(2-fluorophenyl)methyl]ethanamine);N-[(4-fluorophenyl)methyl]ethanamine;N-(pyrimidin-4-ylmethyl)ethanamine with MolForge

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Related Compounds

bis(1-(2-fluorophenyl)-N-methylmethanamine);1-(4-fluorophenyl)-N-methylmethanamine;2-methyl-5-propyl-1,3-oxazole;4-methyl-2-propyl-1,3-oxazole;5-methyl-2-propyl-1,3-oxazole;1-methyl-2-propylpyrrole;N-methyl-1-pyrazin-2-ylmethanamine;N-methyl-1-pyrimidin-2-ylmethanamine;N-methyl-1-pyrimidin-4-ylmethanamine;2-propyl-1,3-oxazole;5-propyl-1,3-oxazole
CID 157238579
N-[(3S)-1-amino-1,2-dioxoheptan-3-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-(2-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-(6-methyl-2-pyridinyl)-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-3-methyl-5-phenylimidazole-4-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-pyridin-2-yl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,3-oxazole-5-carboxamide
CID 158607608
1-(2-fluorophenyl)-N-methylmethanamine;1-(4-fluorophenyl)-N-methylmethanamine;2-methyl-5-propyl-1,3-oxazole;4-methyl-2-propyl-1,3-oxazole;5-methyl-2-propyl-1,3-oxazole;1-methyl-2-propylpyrrole;N-methyl-1-pyrimidin-4-ylmethanamine;2-propyl-1,3-oxazole;5-propyl-1,3-oxazole
CID 158695535
5-[(1S)-1-amino-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-2-(4-fluorophenyl)-1H-imidazole-4-carbonitrile;bis(N-[(1S)-1-[4-cyano-2-(4-fluorophenyl)-1H-imidazol-5-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-2-(dimethylamino)acetamide)
CID 159210723
1-(2-fluorophenyl)-N-methylmethanamine;1-(4-fluorophenyl)-N-methylmethanamine;2-methyl-5-propyl-1,3-oxazole;4-methyl-2-propyl-1,3-oxazole;5-methyl-2-propyl-1,3-oxazole;1-methyl-2-propylpyrrole;N-methyl-1-pyrazin-2-ylmethanamine;N-methyl-1-pyrimidin-2-ylmethanamine;N-methyl-1-pyrimidin-4-ylmethanamine;2-propyl-1,3-oxazole;5-propyl-1,3-oxazole
CID 161001824
butan-1-ol;bis(1-(2-fluorophenyl)-N-methylmethanamine);1-(4-fluorophenyl)-N-methylmethanamine;2-methyl-5-propyl-1,3-oxazole;4-methyl-2-propyl-1,3-oxazole;5-methyl-2-propyl-1,3-oxazole;1-methyl-2-propylpyrrole;N-methyl-1-pyrimidin-4-ylmethanamine;pentan-1-ol;pentan-2-ol;2-propylfuran;5-propyl-1,3-oxazole
CID 163511179

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-methyl-1,3-oxazole;2-butyl-5-methyl-1,3-oxazole;5-butyl-2-methyl-1,3-oxazole;2-butyl-1-methylpyrrole;2-butyl-1,3-oxazole;5-butyl-1,3-oxazole;bis(N-[(2-fluorophenyl)methyl]ethanamine);N-[(4-fluorophenyl)methyl]ethanamine;N-(pyrimidin-4-ylmethyl)ethanamine?
The IUPAC name of 2-butyl-4-methyl-1,3-oxazole;2-butyl-5-methyl-1,3-oxazole;5-butyl-2-methyl-1,3-oxazole;2-butyl-1-methylpyrrole;2-butyl-1,3-oxazole;5-butyl-1,3-oxazole;bis(N-[(2-fluorophenyl)methyl]ethanamine);N-[(4-fluorophenyl)methyl]ethanamine;N-(pyrimidin-4-ylmethyl)ethanamine (CID 163474061) is 2-butyl-4-methyl-1,3-oxazole;2-butyl-5-methyl-1,3-oxazole;5-butyl-2-methyl-1,3-oxazole;2-butyl-1-methylpyrrole;2-butyl-1,3-oxazole;5-butyl-1,3-oxazole;bis(N-[(2-fluorophenyl)methyl]ethanamine);N-[(4-fluorophenyl)methyl]ethanamine;N-(pyrimidin-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-butyl-4-methyl-1,3-oxazole;2-butyl-5-methyl-1,3-oxazole;5-butyl-2-methyl-1,3-oxazole;2-butyl-1-methylpyrrole;2-butyl-1,3-oxazole;5-butyl-1,3-oxazole;bis(N-[(2-fluorophenyl)methyl]ethanamine);N-[(4-fluorophenyl)methyl]ethanamine;N-(pyrimidin-4-ylmethyl)ethanamine?
The canonical SMILES for 2-butyl-4-methyl-1,3-oxazole;2-butyl-5-methyl-1,3-oxazole;5-butyl-2-methyl-1,3-oxazole;2-butyl-1-methylpyrrole;2-butyl-1,3-oxazole;5-butyl-1,3-oxazole;bis(N-[(2-fluorophenyl)methyl]ethanamine);N-[(4-fluorophenyl)methyl]ethanamine;N-(pyrimidin-4-ylmethyl)ethanamine is CCCCc1cccn1C.CCCCc1cnc(C)o1.CCCCc1cnco1.CCCCc1nc(C)co1.CCCCc1ncc(C)o1.CCCCc1ncco1.CCNCc1ccc(F)cc1.CCNCc1ccccc1F.CCNCc1ccccc1F.CCNCc1ccncn1.
What is the InChIKey of 2-butyl-4-methyl-1,3-oxazole;2-butyl-5-methyl-1,3-oxazole;5-butyl-2-methyl-1,3-oxazole;2-butyl-1-methylpyrrole;2-butyl-1,3-oxazole;5-butyl-1,3-oxazole;bis(N-[(2-fluorophenyl)methyl]ethanamine);N-[(4-fluorophenyl)methyl]ethanamine;N-(pyrimidin-4-ylmethyl)ethanamine?
The InChIKey is BYXPKLBFBCVSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H12FN.C9H15N.3C8H13NO.C7H11N3.2C7H11NO/c1-2-11-7-8-3-5-9(10)6-4-8;2*1-2-11-7-8-5-3-4-6-9(8)10;1-3-4-6-9-7-5-8-10(9)2;1-3-4-5-8-6-9-7(2)10-8;1-3-4-5-8-9-7(2)6-10-8;1-3-4-5-8-9-6-7(2)10-8;1-2-8-5-7-3-4-9-6-10-7;1-2-3-4-7-5-8-6-9-7;1-2-3-4-7-8-5-6-9-7/h3*3-6,11H,2,7H2,1H3;5,7-8H,3-4,6H2,1-2H3;3*6H,3-5H2,1-2H3;3-4,6,8H,2,5H2,1H3;2*5-6H,2-4H2,1H3.
What are the key properties of 2-butyl-4-methyl-1,3-oxazole;2-butyl-5-methyl-1,3-oxazole;5-butyl-2-methyl-1,3-oxazole;2-butyl-1-methylpyrrole;2-butyl-1,3-oxazole;5-butyl-1,3-oxazole;bis(N-[(2-fluorophenyl)methyl]ethanamine);N-[(4-fluorophenyl)methyl]ethanamine;N-(pyrimidin-4-ylmethyl)ethanamine?
2-butyl-4-methyl-1,3-oxazole;2-butyl-5-methyl-1,3-oxazole;5-butyl-2-methyl-1,3-oxazole;2-butyl-1-methylpyrrole;2-butyl-1,3-oxazole;5-butyl-1,3-oxazole;bis(N-[(2-fluorophenyl)methyl]ethanamine);N-[(4-fluorophenyl)methyl]ethanamine;N-(pyrimidin-4-ylmethyl)ethanamine has a molecular weight of 1401.95 g/mol, XLogP of 19.77, 30 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-methyl-1,3-oxazole;2-butyl-5-methyl-1,3-oxazole;5-butyl-2-methyl-1,3-oxazole;2-butyl-1-methylpyrrole;2-butyl-1,3-oxazole;5-butyl-1,3-oxazole;bis(N-[(2-fluorophenyl)methyl]ethanamine);N-[(4-fluorophenyl)methyl]ethanamine;N-(pyrimidin-4-ylmethyl)ethanamine is sourced from PubChem (CID 163474061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).