N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide

C21H29N3O2 — CID 97125005

IUPACN-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NC[C@@H](c2ccccc2)N2CCCCCC2)on1
InChIInChI=1S/C21H29N3O2/c1-16(2)18-14-20(26-23-18)21(25)22-15-19(17-10-6-5-7-11-17)24-12-8-3-4-9-13-24/h5-7,10-11,14,16,19H,3-4,8-9,12-13,15H2,1-2H3,(H,22,25)/t19-/m0/s1
InChIKeyWELIXTRJIWHMEX-IBGZPJMESA-N
MW355.48 g/mol
LogP4.15
Rot. Bonds6

About N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide

N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide (PubChem CID 97125005) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
PubChem CID97125005
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC NameN-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NC[C@@H](c2ccccc2)N2CCCCCC2)on1
InChIInChI=1S/C21H29N3O2/c1-16(2)18-14-20(26-23-18)21(25)22-15-19(17-10-6-5-7-11-17)24-12-8-3-4-9-13-24/h5-7,10-11,14,16,19H,3-4,8-9,12-13,15H2,1-2H3,(H,22,25)/t19-/m0/s1
InChIKeyWELIXTRJIWHMEX-IBGZPJMESA-N
XLogP4.15
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide with MolForge

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Related Compounds

3-(1-methylpyrazol-4-yl)-N-[(2R)-2-phenyl-2-piperidin-1-ylethyl]-1,2-oxazole-5-carboxamide
CID 92614545
N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 97114576
N-[2-(azepan-1-yl)-2-phenylethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 118762980
5-chloro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]furan-2-carboxamide
CID 30334540
N-[(2R)-2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 35577892
3-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide
CID 45155327
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 17016119
N-[2-(azepan-1-yl)-2-phenylethyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 118786582
3-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide
CID 167898904
N-[(2S)-2-(azepan-1-yl)-2-phenylethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 97124958
6-ethyl-4-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)chromene-2-carboxamide
CID 45155475
N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]-2-phenylacetamide
CID 34952082

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide (CID 97125005) is N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide is CC(C)c1cc(C(=O)NC[C@@H](c2ccccc2)N2CCCCCC2)on1.
What is the InChIKey of N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The InChIKey is WELIXTRJIWHMEX-IBGZPJMESA-N. The full InChI is InChI=1S/C21H29N3O2/c1-16(2)18-14-20(26-23-18)21(25)22-15-19(17-10-6-5-7-11-17)24-12-8-3-4-9-13-24/h5-7,10-11,14,16,19H,3-4,8-9,12-13,15H2,1-2H3,(H,22,25)/t19-/m0/s1.
What are the key properties of N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide has a molecular weight of 355.48 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 97125005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).