1-(benzylcarbamoylamino)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide

C21H22N4O4 — CID 134019994

IUPAC1-(benzylcarbamoylamino)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide
SMILESO=C(NCc1ccccc1)NC1(C(=O)Nc2ccc3oc(=O)[nH]c3c2)CCCC1
InChIInChI=1S/C21H22N4O4/c26-18(23-15-8-9-17-16(12-15)24-20(28)29-17)21(10-4-5-11-21)25-19(27)22-13-14-6-2-1-3-7-14/h1-3,6-9,12H,4-5,10-11,13H2,(H,23,26)(H,24,28)(H2,22,25,27)
InChIKeyQPJFXRBWDOAWMK-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.87
Rot. Bonds5

About 1-(benzylcarbamoylamino)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide

1-(benzylcarbamoylamino)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide (PubChem CID 134019994) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 1-(benzylcarbamoylamino)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(benzylcarbamoylamino)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide
PubChem CID134019994
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name1-(benzylcarbamoylamino)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide
SMILESO=C(NCc1ccccc1)NC1(C(=O)Nc2ccc3oc(=O)[nH]c3c2)CCCC1
InChIInChI=1S/C21H22N4O4/c26-18(23-15-8-9-17-16(12-15)24-20(28)29-17)21(10-4-5-11-21)25-19(27)22-13-14-6-2-1-3-7-14/h1-3,6-9,12H,4-5,10-11,13H2,(H,23,26)(H,24,28)(H2,22,25,27)
InChIKeyQPJFXRBWDOAWMK-UHFFFAOYSA-N
XLogP2.87
TPSA116.23 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-3-phenylurea
CID 110775568
1-benzyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea
CID 110411881
1-(benzylcarbamoylamino)-N-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 33330452
N-(3-acetamido-4-methylphenyl)-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide
CID 55972370
1-(benzylcarbamoylamino)-N-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 36704616
1-(benzylcarbamoylamino)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]cyclopentane-1-carboxamide
CID 55617288
1-[(2-oxo-3H-1,3-benzoxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 67180461
N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-2-phenylacetamide
CID 110786737
1-(4-chlorophenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide
CID 134019851
1-(ethylcarbamoylamino)-N-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)cyclopentane-1-carboxamide
CID 99587343
4-benzamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38468547
3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-[(2-phenylacetyl)amino]butanamide
CID 134019800

Frequently Asked Questions

What is the IUPAC name of 1-(benzylcarbamoylamino)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(benzylcarbamoylamino)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide (CID 134019994) is 1-(benzylcarbamoylamino)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(benzylcarbamoylamino)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(benzylcarbamoylamino)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide is O=C(NCc1ccccc1)NC1(C(=O)Nc2ccc3oc(=O)[nH]c3c2)CCCC1.
What is the InChIKey of 1-(benzylcarbamoylamino)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide?
The InChIKey is QPJFXRBWDOAWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c26-18(23-15-8-9-17-16(12-15)24-20(28)29-17)21(10-4-5-11-21)25-19(27)22-13-14-6-2-1-3-7-14/h1-3,6-9,12H,4-5,10-11,13H2,(H,23,26)(H,24,28)(H2,22,25,27).
What are the key properties of 1-(benzylcarbamoylamino)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide?
1-(benzylcarbamoylamino)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 2.87, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylcarbamoylamino)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 134019994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).