5-[[cyclopentanecarbonyl(2-phenylethyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide

C21H27N3O3 — CID 23734689

IUPAC5-[[cyclopentanecarbonyl(2-phenylethyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide
SMILESCCNC(=O)c1cc(CN(CCc2ccccc2)C(=O)C2CCCC2)on1
InChIInChI=1S/C21H27N3O3/c1-2-22-20(25)19-14-18(27-23-19)15-24(21(26)17-10-6-7-11-17)13-12-16-8-4-3-5-9-16/h3-5,8-9,14,17H,2,6-7,10-13,15H2,1H3,(H,22,25)
InChIKeyUREUUUDNVQTMMB-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.19
Rot. Bonds8

About 5-[[cyclopentanecarbonyl(2-phenylethyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide

5-[[cyclopentanecarbonyl(2-phenylethyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide (PubChem CID 23734689) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 5-[[cyclopentanecarbonyl(2-phenylethyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[[cyclopentanecarbonyl(2-phenylethyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide
PubChem CID23734689
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name5-[[cyclopentanecarbonyl(2-phenylethyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide
SMILESCCNC(=O)c1cc(CN(CCc2ccccc2)C(=O)C2CCCC2)on1
InChIInChI=1S/C21H27N3O3/c1-2-22-20(25)19-14-18(27-23-19)15-24(21(26)17-10-6-7-11-17)13-12-16-8-4-3-5-9-16/h3-5,8-9,14,17H,2,6-7,10-13,15H2,1H3,(H,22,25)
InChIKeyUREUUUDNVQTMMB-UHFFFAOYSA-N
XLogP3.19
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[cyclopentanecarbonyl(oxolan-2-ylmethyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide
CID 23938870
5-[[cyclohexanecarbonyl(cyclopentyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide
CID 23792491
5-[[3-cyclopentylpropanoyl(2-phenylethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 23738652
5-[[benzyl(cyclohexanecarbonyl)amino]methyl]-N-[(3-chlorophenyl)methyl]-1,2-oxazole-3-carboxamide
CID 23934866
5-[[cyclopropanecarbonyl(prop-2-enyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide
CID 23733314
5-[[cyclopentanecarbonyl(thiophen-2-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 23741982
N,N-diethyl-5-[[methyl(2-phenylethyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 56758073
N-(cyclopropylmethyl)-5-[[pentan-3-yl(3-phenylpropanoyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23965951
5-[[cyclopentyl(3-phenylpropanoyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 23906085
N-(2-methylpropyl)-5-[[2-phenylethyl(pyridine-3-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23770266
5-[[cyclohexanecarbonyl(cyclopropyl)amino]methyl]-N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 23761703
2-[cyclobutanecarbonyl(2-phenylethyl)amino]acetic acid
CID 119347597

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopentanecarbonyl(2-phenylethyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[[cyclopentanecarbonyl(2-phenylethyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide (CID 23734689) is 5-[[cyclopentanecarbonyl(2-phenylethyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[[cyclopentanecarbonyl(2-phenylethyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[[cyclopentanecarbonyl(2-phenylethyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide is CCNC(=O)c1cc(CN(CCc2ccccc2)C(=O)C2CCCC2)on1.
What is the InChIKey of 5-[[cyclopentanecarbonyl(2-phenylethyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide?
The InChIKey is UREUUUDNVQTMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-2-22-20(25)19-14-18(27-23-19)15-24(21(26)17-10-6-7-11-17)13-12-16-8-4-3-5-9-16/h3-5,8-9,14,17H,2,6-7,10-13,15H2,1H3,(H,22,25).
What are the key properties of 5-[[cyclopentanecarbonyl(2-phenylethyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide?
5-[[cyclopentanecarbonyl(2-phenylethyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopentanecarbonyl(2-phenylethyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 23734689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).