N-[3-[[2-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]methyl]phenyl]cyclopentanecarboxamide

C23H25N3O4 — CID 55947366

IUPACN-[3-[[2-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]methyl]phenyl]cyclopentanecarboxamide
SMILESCC(C(=O)NCc1cccc(NC(=O)C2CCCC2)c1)n1c(=O)oc2ccccc21
InChIInChI=1S/C23H25N3O4/c1-15(26-19-11-4-5-12-20(19)30-23(26)29)21(27)24-14-16-7-6-10-18(13-16)25-22(28)17-8-2-3-9-17/h4-7,10-13,15,17H,2-3,8-9,14H2,1H3,(H,24,27)(H,25,28)
InChIKeyKDUKAVZHDMIECO-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.60
Rot. Bonds6

About N-[3-[[2-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]methyl]phenyl]cyclopentanecarboxamide

N-[3-[[2-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]methyl]phenyl]cyclopentanecarboxamide (PubChem CID 55947366) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[3-[[2-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]methyl]phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-[[2-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]methyl]phenyl]cyclopentanecarboxamide
PubChem CID55947366
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC NameN-[3-[[2-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]methyl]phenyl]cyclopentanecarboxamide
SMILESCC(C(=O)NCc1cccc(NC(=O)C2CCCC2)c1)n1c(=O)oc2ccccc21
InChIInChI=1S/C23H25N3O4/c1-15(26-19-11-4-5-12-20(19)30-23(26)29)21(27)24-14-16-7-6-10-18(13-16)25-22(28)17-8-2-3-9-17/h4-7,10-13,15,17H,2-3,8-9,14H2,1H3,(H,24,27)(H,25,28)
InChIKeyKDUKAVZHDMIECO-UHFFFAOYSA-N
XLogP3.60
TPSA93.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[[(2S)-2-aminopropanoyl]amino]methyl]phenyl]cyclobutanecarboxamide
CID 119282339
N-[3-[(2-methylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 17398040
N-[3-[[(2-amino-2-phenylacetyl)amino]methyl]phenyl]cyclopentanecarboxamide
CID 119299327
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 119059181
N-[3-[[(2-amino-3-methylpentanoyl)amino]methyl]phenyl]cyclopentanecarboxamide
CID 119741621
N-[3-[[[(2R)-2-methylbutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 30291694
N-[3-[(2-methoxypropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 47303341
N-[3-[(2-aminopentanoylamino)methyl]phenyl]cyclopentanecarboxamide
CID 119299331
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119299314
methyl 3-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]benzoate
CID 24608479
N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]cyclopentanecarboxamide
CID 110786846
(2S)-N-(4-cyclopentylsulfanylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 37400112

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]methyl]phenyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-[[2-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]methyl]phenyl]cyclopentanecarboxamide (CID 55947366) is N-[3-[[2-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]methyl]phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-[[2-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]methyl]phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-[[2-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]methyl]phenyl]cyclopentanecarboxamide is CC(C(=O)NCc1cccc(NC(=O)C2CCCC2)c1)n1c(=O)oc2ccccc21.
What is the InChIKey of N-[3-[[2-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]methyl]phenyl]cyclopentanecarboxamide?
The InChIKey is KDUKAVZHDMIECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-15(26-19-11-4-5-12-20(19)30-23(26)29)21(27)24-14-16-7-6-10-18(13-16)25-22(28)17-8-2-3-9-17/h4-7,10-13,15,17H,2-3,8-9,14H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-[3-[[2-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]methyl]phenyl]cyclopentanecarboxamide?
N-[3-[[2-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]methyl]phenyl]cyclopentanecarboxamide has a molecular weight of 407.47 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]methyl]phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 55947366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).