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

C63H93F2N11O5 — CID 158695535

IUPAC1-(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
SMILESCCCc1cccn1C.CCCc1cnc(C)o1.CCCc1cnco1.CCCc1nc(C)co1.CCCc1ncc(C)o1.CCCc1ncco1.CNCc1ccc(F)cc1.CNCc1ccccc1F.CNCc1ccncn1
InChIInChI=1S/2C8H10FN.C8H13N.3C7H11NO.C6H9N3.2C6H9NO/c1-10-6-7-2-4-8(9)5-3-7;1-10-6-7-4-2-3-5-8(7)9;1-3-5-8-6-4-7-9(8)2;1-3-4-7-5-8-6(2)9-7;1-3-4-7-8-6(2)5-9-7;1-3-4-7-8-5-6(2)9-7;1-7-4-6-2-3-8-5-9-6;1-2-3-6-4-7-5-8-6;1-2-3-6-7-4-5-8-6/h2*2-5,10H,6H2,1H3;4,6-7H,3,5H2,1-2H3;3*5H,3-4H2,1-2H3;2-3,5,7H,4H2,1H3;2*4-5H,2-3H2,1H3
InChIKeyIGWVVVTUJLHLLH-UHFFFAOYSA-N
MW1122.50 g/mol
LogP14.32
Rot. Bonds18

About 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

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 (PubChem CID 158695535) has the molecular formula C63H93F2N11O5 and a molecular weight of 1122.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID158695535
Molecular FormulaC63H93F2N11O5
Molecular Weight1122.50 g/mol
Exact Mass1121.73
IUPAC Name1-(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
SMILESCCCc1cccn1C.CCCc1cnc(C)o1.CCCc1cnco1.CCCc1nc(C)co1.CCCc1ncc(C)o1.CCCc1ncco1.CNCc1ccc(F)cc1.CNCc1ccccc1F.CNCc1ccncn1
InChIInChI=1S/2C8H10FN.C8H13N.3C7H11NO.C6H9N3.2C6H9NO/c1-10-6-7-2-4-8(9)5-3-7;1-10-6-7-4-2-3-5-8(7)9;1-3-5-8-6-4-7-9(8)2;1-3-4-7-5-8-6(2)9-7;1-3-4-7-8-6(2)5-9-7;1-3-4-7-8-5-6(2)9-7;1-7-4-6-2-3-8-5-9-6;1-2-3-6-4-7-5-8-6;1-2-3-6-7-4-5-8-6/h2*2-5,10H,6H2,1H3;4,6-7H,3,5H2,1-2H3;3*5H,3-4H2,1-2H3;2-3,5,7H,4H2,1H3;2*4-5H,2-3H2,1H3
InChIKeyIGWVVVTUJLHLLH-UHFFFAOYSA-N
XLogP14.32
TPSA196.95 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds18
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001122.50
LogP ≤ 514.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Analyze 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 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
1-[3-[(2-fluorophenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine
CID 65173130
2,5-dimethyl-N-(1,3-oxazol-5-ylmethyl)pyrrol-1-amine
CID 79101202
1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]-N-methylmethanamine
CID 28797067
N-[(2-fluorophenyl)methyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 17493813
2-(4-fluorophenyl)-1-[(2S)-2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]ethanone
CID 125020266
3-(2-fluorophenyl)-1-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]propan-1-one
CID 124972560
1-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 79776321
4-fluoro-3-(methylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106378168
1-ethyl-3-[(2-fluorophenyl)methyl]-2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111266778
2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 65182883
2-(4-fluorophenyl)-1-[2-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone
CID 127250154

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCc1cccn1C.CCCc1cnc(C)o1.CCCc1cnco1.CCCc1nc(C)co1.CCCc1ncc(C)o1.CCCc1ncco1.CNCc1ccc(F)cc1.CNCc1ccccc1F.CNCc1ccncn1.
What is the InChIKey of 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?
The InChIKey is IGWVVVTUJLHLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H10FN.C8H13N.3C7H11NO.C6H9N3.2C6H9NO/c1-10-6-7-2-4-8(9)5-3-7;1-10-6-7-4-2-3-5-8(7)9;1-3-5-8-6-4-7-9(8)2;1-3-4-7-5-8-6(2)9-7;1-3-4-7-8-6(2)5-9-7;1-3-4-7-8-5-6(2)9-7;1-7-4-6-2-3-8-5-9-6;1-2-3-6-4-7-5-8-6;1-2-3-6-7-4-5-8-6/h2*2-5,10H,6H2,1H3;4,6-7H,3,5H2,1-2H3;3*5H,3-4H2,1-2H3;2-3,5,7H,4H2,1H3;2*4-5H,2-3H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 1122.50 g/mol, XLogP of 14.32, 18 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158695535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).