N-[2-[4-[(2-cyclopentylacetyl)amino]piperidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide

C24H30N4O4 — CID 86902989

IUPACN-[2-[4-[(2-cyclopentylacetyl)amino]piperidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(CC1CCCC1)NC1CCN(C(=O)CNC(=O)c2cc(-c3ccccc3)on2)CC1
InChIInChI=1S/C24H30N4O4/c29-22(14-17-6-4-5-7-17)26-19-10-12-28(13-11-19)23(30)16-25-24(31)20-15-21(32-27-20)18-8-2-1-3-9-18/h1-3,8-9,15,17,19H,4-7,10-14,16H2,(H,25,31)(H,26,29)
InChIKeyNYLHMQKOANXAOD-UHFFFAOYSA-N
MW438.53 g/mol
LogP2.76
Rot. Bonds7

About N-[2-[4-[(2-cyclopentylacetyl)amino]piperidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[2-[4-[(2-cyclopentylacetyl)amino]piperidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 86902989) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-[2-[4-[(2-cyclopentylacetyl)amino]piperidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[(2-cyclopentylacetyl)amino]piperidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID86902989
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC NameN-[2-[4-[(2-cyclopentylacetyl)amino]piperidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(CC1CCCC1)NC1CCN(C(=O)CNC(=O)c2cc(-c3ccccc3)on2)CC1
InChIInChI=1S/C24H30N4O4/c29-22(14-17-6-4-5-7-17)26-19-10-12-28(13-11-19)23(30)16-25-24(31)20-15-21(32-27-20)18-8-2-1-3-9-18/h1-3,8-9,15,17,19H,4-7,10-14,16H2,(H,25,31)(H,26,29)
InChIKeyNYLHMQKOANXAOD-UHFFFAOYSA-N
XLogP2.76
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-cyclohexyloxypiperidin-1-yl)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 86876644
N-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 120815735
N-(cyclobutylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 33379552
N-[2-oxo-2-(pyrazolidin-4-ylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 75617038
N-[2-[4-(2-methylsulfonylethyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 56572319
N-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 86957488
N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 52907100
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 52907101
N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 120805537
N-[2-[(2R,6R)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 99790807
N-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 86885892
N-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]benzamide
CID 34423890

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(2-cyclopentylacetyl)amino]piperidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-[4-[(2-cyclopentylacetyl)amino]piperidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 86902989) is N-[2-[4-[(2-cyclopentylacetyl)amino]piperidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-[4-[(2-cyclopentylacetyl)amino]piperidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-[4-[(2-cyclopentylacetyl)amino]piperidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide is O=C(CC1CCCC1)NC1CCN(C(=O)CNC(=O)c2cc(-c3ccccc3)on2)CC1.
What is the InChIKey of N-[2-[4-[(2-cyclopentylacetyl)amino]piperidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is NYLHMQKOANXAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c29-22(14-17-6-4-5-7-17)26-19-10-12-28(13-11-19)23(30)16-25-24(31)20-15-21(32-27-20)18-8-2-1-3-9-18/h1-3,8-9,15,17,19H,4-7,10-14,16H2,(H,25,31)(H,26,29).
What are the key properties of N-[2-[4-[(2-cyclopentylacetyl)amino]piperidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[2-[4-[(2-cyclopentylacetyl)amino]piperidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 438.53 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(2-cyclopentylacetyl)amino]piperidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 86902989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).