2-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-propylphenyl)propan-1-amine

C22H27N3O — CID 78818492

IUPAC2-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-propylphenyl)propan-1-amine
SMILESCCCc1ccc(C(NCc2nnc(-c3ccccc3)o2)C(C)C)cc1
InChIInChI=1S/C22H27N3O/c1-4-8-17-11-13-18(14-12-17)21(16(2)3)23-15-20-24-25-22(26-20)19-9-6-5-7-10-19/h5-7,9-14,16,21,23H,4,8,15H2,1-3H3
InChIKeyGDAXLTSJRBFWQA-UHFFFAOYSA-N
MW349.48 g/mol
LogP5.18
Rot. Bonds8

About 2-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-propylphenyl)propan-1-amine

2-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-propylphenyl)propan-1-amine (PubChem CID 78818492) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-propylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-propylphenyl)propan-1-amine
PubChem CID78818492
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name2-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-propylphenyl)propan-1-amine
SMILESCCCc1ccc(C(NCc2nnc(-c3ccccc3)o2)C(C)C)cc1
InChIInChI=1S/C22H27N3O/c1-4-8-17-11-13-18(14-12-17)21(16(2)3)23-15-20-24-25-22(26-20)19-9-6-5-7-10-19/h5-7,9-14,16,21,23H,4,8,15H2,1-3H3
InChIKeyGDAXLTSJRBFWQA-UHFFFAOYSA-N
XLogP5.18
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.48
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-1-(4-propylphenyl)propan-1-amine
CID 78818411
2-phenyl-5-propyl-1,3,4-oxadiazole
CID 14949000
(1R)-1-(4-chlorophenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 9334600
(2R)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]butan-1-ol
CID 94160198
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 62138740
1-phenyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine
CID 110653660
(2R)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 94362537
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]propanamide
CID 24550486
(2S)-1-phenoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propan-2-amine
CID 95131861
2-phenyl-5-[[5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 33331375
2-ethyl-5-phenyl-1,3,4-oxadiazole
CID 12520828
1-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 18870633

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-propylphenyl)propan-1-amine?
The IUPAC name of 2-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-propylphenyl)propan-1-amine (CID 78818492) is 2-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-propylphenyl)propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-propylphenyl)propan-1-amine?
The canonical SMILES for 2-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-propylphenyl)propan-1-amine is CCCc1ccc(C(NCc2nnc(-c3ccccc3)o2)C(C)C)cc1.
What is the InChIKey of 2-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-propylphenyl)propan-1-amine?
The InChIKey is GDAXLTSJRBFWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-4-8-17-11-13-18(14-12-17)21(16(2)3)23-15-20-24-25-22(26-20)19-9-6-5-7-10-19/h5-7,9-14,16,21,23H,4,8,15H2,1-3H3.
What are the key properties of 2-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-propylphenyl)propan-1-amine?
2-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-propylphenyl)propan-1-amine has a molecular weight of 349.48 g/mol, XLogP of 5.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-propylphenyl)propan-1-amine is sourced from PubChem (CID 78818492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).