4-(aminomethyl)-N-[(1S)-2-phenyl-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]cyclohexane-1-carboxamide

C25H29N3O2 — CID 66674212

IUPAC4-(aminomethyl)-N-[(1S)-2-phenyl-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]cyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)N[C@@H](Cc2ccccc2)c2ncc(-c3ccccc3)o2)CC1
InChIInChI=1S/C25H29N3O2/c26-16-19-11-13-21(14-12-19)24(29)28-22(15-18-7-3-1-4-8-18)25-27-17-23(30-25)20-9-5-2-6-10-20/h1-10,17,19,21-22H,11-16,26H2,(H,28,29)/t19?,21?,22-/m0/s1
InChIKeyGKDIFYSGHKBGCN-VTLFHKLASA-N
MW403.53 g/mol
LogP4.51
Rot. Bonds7

About 4-(aminomethyl)-N-[(1S)-2-phenyl-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]cyclohexane-1-carboxamide

4-(aminomethyl)-N-[(1S)-2-phenyl-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 66674212) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(1S)-2-phenyl-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(1S)-2-phenyl-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID66674212
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name4-(aminomethyl)-N-[(1S)-2-phenyl-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]cyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)N[C@@H](Cc2ccccc2)c2ncc(-c3ccccc3)o2)CC1
InChIInChI=1S/C25H29N3O2/c26-16-19-11-13-21(14-12-19)24(29)28-22(15-18-7-3-1-4-8-18)25-27-17-23(30-25)20-9-5-2-6-10-20/h1-10,17,19,21-22H,11-16,26H2,(H,28,29)/t19?,21?,22-/m0/s1
InChIKeyGKDIFYSGHKBGCN-VTLFHKLASA-N
XLogP4.51
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-Bis(5-phenyl-2-oxazolyl)benzene
CID 15732
2,5-Diphenyloxazole
CID 7105
2,5-Bis(4-biphenylyl)oxazole
CID 95231
2-(Biphenyl-4-yl)-5-phenyloxazole
CID 96728
(1r,2r,3r)-2-[4-(1,3-Oxazol-5-Yl)phenyl]-N-Oxidanyl-3-Phenyl-Cyclopropane-1-Carboxamide
CID 60148693
3-Methyl-2,5-diphenyl-1,3-oxazol-3-ium
CID 2313868
5-Phenyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole
CID 8688253
2-Cyclohexyl-5-phenyloxazole
CID 87832
2-Methyl-5-Phenyl-1,3-Oxazole
CID 248491
5-Phenyl-2-(4-(piperidin-1-yl)butyl)oxazole
CID 52946272
2(1H)-Pyridinone, 5-ethyl-6-methyl-3-(((5-phenyl-2-oxazolyl)methyl)amino)-
CID 454392
7-[5-[4-(4-chlorophenyl)phenyl]-1,3-oxazol-2-yl]-N-hydroxyheptanamide
CID 9952732

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(1S)-2-phenyl-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[(1S)-2-phenyl-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]cyclohexane-1-carboxamide (CID 66674212) is 4-(aminomethyl)-N-[(1S)-2-phenyl-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(1S)-2-phenyl-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[(1S)-2-phenyl-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]cyclohexane-1-carboxamide is NCC1CCC(C(=O)N[C@@H](Cc2ccccc2)c2ncc(-c3ccccc3)o2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-[(1S)-2-phenyl-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is GKDIFYSGHKBGCN-VTLFHKLASA-N. The full InChI is InChI=1S/C25H29N3O2/c26-16-19-11-13-21(14-12-19)24(29)28-22(15-18-7-3-1-4-8-18)25-27-17-23(30-25)20-9-5-2-6-10-20/h1-10,17,19,21-22H,11-16,26H2,(H,28,29)/t19?,21?,22-/m0/s1.
What are the key properties of 4-(aminomethyl)-N-[(1S)-2-phenyl-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]cyclohexane-1-carboxamide?
4-(aminomethyl)-N-[(1S)-2-phenyl-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 403.53 g/mol, XLogP of 4.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(1S)-2-phenyl-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 66674212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).