N-cyclopentyl-4-(hydroxymethyl)-5-phenyl-5-(triazol-1-yl)-2H-1,2-oxazole-3-carboxamide

C18H21N5O3 — CID 126649216

IUPACN-cyclopentyl-4-(hydroxymethyl)-5-phenyl-5-(triazol-1-yl)-2H-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCCC1)C1=C(CO)C(c2ccccc2)(n2ccnn2)ON1
InChIInChI=1S/C18H21N5O3/c24-12-15-16(17(25)20-14-8-4-5-9-14)21-26-18(15,23-11-10-19-22-23)13-6-2-1-3-7-13/h1-3,6-7,10-11,14,21,24H,4-5,8-9,12H2,(H,20,25)
InChIKeyLHGRCDPMOKMILB-UHFFFAOYSA-N
MW355.40 g/mol
LogP0.82
Rot. Bonds5

About N-cyclopentyl-4-(hydroxymethyl)-5-phenyl-5-(triazol-1-yl)-2H-1,2-oxazole-3-carboxamide

N-cyclopentyl-4-(hydroxymethyl)-5-phenyl-5-(triazol-1-yl)-2H-1,2-oxazole-3-carboxamide (PubChem CID 126649216) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-cyclopentyl-4-(hydroxymethyl)-5-phenyl-5-(triazol-1-yl)-2H-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-(hydroxymethyl)-5-phenyl-5-(triazol-1-yl)-2H-1,2-oxazole-3-carboxamide
PubChem CID126649216
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC NameN-cyclopentyl-4-(hydroxymethyl)-5-phenyl-5-(triazol-1-yl)-2H-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCCC1)C1=C(CO)C(c2ccccc2)(n2ccnn2)ON1
InChIInChI=1S/C18H21N5O3/c24-12-15-16(17(25)20-14-8-4-5-9-14)21-26-18(15,23-11-10-19-22-23)13-6-2-1-3-7-13/h1-3,6-7,10-11,14,21,24H,4-5,8-9,12H2,(H,20,25)
InChIKeyLHGRCDPMOKMILB-UHFFFAOYSA-N
XLogP0.82
TPSA101.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclobutyl-5-ethyl-4-hydroxy-5-phenyl-2H-1,2-oxazole-3-carboxamide
CID 118608951
2-[3-(cycloheptylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19623357
N-cyclopentyl-4-(hydroxymethyl)benzamide
CID 60636896
2-[2-(cyclohexylcarbamoyl)phenyl]acetic acid
CID 114199766
N-cyclopentyl-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2580741
N-cycloheptyl-2-(triazol-1-yl)acetamide
CID 154733961
N-cyclooctyl-3-phenylfuran-2-carboxamide
CID 35163513
N-cyclohexyl-3-phenylfuran-2-carboxamide
CID 46521947
2-chloro-N-cyclopentylbenzamide
CID 669043
1-benzyl-N-cyclopentyl-5-ethylpyrazole-4-carboxamide
CID 78874188
N-cyclohexyl-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2580985
N-cyclohexyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 16620977

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-(hydroxymethyl)-5-phenyl-5-(triazol-1-yl)-2H-1,2-oxazole-3-carboxamide?
The IUPAC name of N-cyclopentyl-4-(hydroxymethyl)-5-phenyl-5-(triazol-1-yl)-2H-1,2-oxazole-3-carboxamide (CID 126649216) is N-cyclopentyl-4-(hydroxymethyl)-5-phenyl-5-(triazol-1-yl)-2H-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-(hydroxymethyl)-5-phenyl-5-(triazol-1-yl)-2H-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-cyclopentyl-4-(hydroxymethyl)-5-phenyl-5-(triazol-1-yl)-2H-1,2-oxazole-3-carboxamide is O=C(NC1CCCC1)C1=C(CO)C(c2ccccc2)(n2ccnn2)ON1.
What is the InChIKey of N-cyclopentyl-4-(hydroxymethyl)-5-phenyl-5-(triazol-1-yl)-2H-1,2-oxazole-3-carboxamide?
The InChIKey is LHGRCDPMOKMILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c24-12-15-16(17(25)20-14-8-4-5-9-14)21-26-18(15,23-11-10-19-22-23)13-6-2-1-3-7-13/h1-3,6-7,10-11,14,21,24H,4-5,8-9,12H2,(H,20,25).
What are the key properties of N-cyclopentyl-4-(hydroxymethyl)-5-phenyl-5-(triazol-1-yl)-2H-1,2-oxazole-3-carboxamide?
N-cyclopentyl-4-(hydroxymethyl)-5-phenyl-5-(triazol-1-yl)-2H-1,2-oxazole-3-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-(hydroxymethyl)-5-phenyl-5-(triazol-1-yl)-2H-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 126649216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).