N-(cyclopropylmethyl)-5-[[pentan-3-yl(3-phenylpropanoyl)amino]methyl]-1,2-oxazole-3-carboxamide

C23H31N3O3 — CID 23965951

IUPACN-(cyclopropylmethyl)-5-[[pentan-3-yl(3-phenylpropanoyl)amino]methyl]-1,2-oxazole-3-carboxamide
SMILESCCC(CC)N(Cc1cc(C(=O)NCC2CC2)no1)C(=O)CCc1ccccc1
InChIInChI=1S/C23H31N3O3/c1-3-19(4-2)26(22(27)13-12-17-8-6-5-7-9-17)16-20-14-21(25-29-20)23(28)24-15-18-10-11-18/h5-9,14,18-19H,3-4,10-13,15-16H2,1-2H3,(H,24,28)
InChIKeySABHHUKKPWTGRW-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.96
Rot. Bonds11

About N-(cyclopropylmethyl)-5-[[pentan-3-yl(3-phenylpropanoyl)amino]methyl]-1,2-oxazole-3-carboxamide

N-(cyclopropylmethyl)-5-[[pentan-3-yl(3-phenylpropanoyl)amino]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 23965951) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-[[pentan-3-yl(3-phenylpropanoyl)amino]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-[[pentan-3-yl(3-phenylpropanoyl)amino]methyl]-1,2-oxazole-3-carboxamide
PubChem CID23965951
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC NameN-(cyclopropylmethyl)-5-[[pentan-3-yl(3-phenylpropanoyl)amino]methyl]-1,2-oxazole-3-carboxamide
SMILESCCC(CC)N(Cc1cc(C(=O)NCC2CC2)no1)C(=O)CCc1ccccc1
InChIInChI=1S/C23H31N3O3/c1-3-19(4-2)26(22(27)13-12-17-8-6-5-7-9-17)16-20-14-21(25-29-20)23(28)24-15-18-10-11-18/h5-9,14,18-19H,3-4,10-13,15-16H2,1-2H3,(H,24,28)
InChIKeySABHHUKKPWTGRW-UHFFFAOYSA-N
XLogP3.96
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(cyclopropylmethyl)-5-[[pentan-3-yl(3-phenylpropanoyl)amino]methyl]-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-[[pentan-3-yl(3-phenylpropanoyl)amino]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-5-[[pentan-3-yl(3-phenylpropanoyl)amino]methyl]-1,2-oxazole-3-carboxamide (CID 23965951) is N-(cyclopropylmethyl)-5-[[pentan-3-yl(3-phenylpropanoyl)amino]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-5-[[pentan-3-yl(3-phenylpropanoyl)amino]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-5-[[pentan-3-yl(3-phenylpropanoyl)amino]methyl]-1,2-oxazole-3-carboxamide is CCC(CC)N(Cc1cc(C(=O)NCC2CC2)no1)C(=O)CCc1ccccc1.
What is the InChIKey of N-(cyclopropylmethyl)-5-[[pentan-3-yl(3-phenylpropanoyl)amino]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is SABHHUKKPWTGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-3-19(4-2)26(22(27)13-12-17-8-6-5-7-9-17)16-20-14-21(25-29-20)23(28)24-15-18-10-11-18/h5-9,14,18-19H,3-4,10-13,15-16H2,1-2H3,(H,24,28).
What are the key properties of N-(cyclopropylmethyl)-5-[[pentan-3-yl(3-phenylpropanoyl)amino]methyl]-1,2-oxazole-3-carboxamide?
N-(cyclopropylmethyl)-5-[[pentan-3-yl(3-phenylpropanoyl)amino]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 397.52 g/mol, XLogP of 3.96, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-[[pentan-3-yl(3-phenylpropanoyl)amino]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 23965951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).