N-(2-oxo-3H-1,3-benzoxazol-6-yl)-4-(2-oxopyrrolidin-1-yl)benzamide

C18H15N3O4 — CID 110616378

IUPACN-(2-oxo-3H-1,3-benzoxazol-6-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(Nc1ccc2[nH]c(=O)oc2c1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H15N3O4/c22-16-2-1-9-21(16)13-6-3-11(4-7-13)17(23)19-12-5-8-14-15(10-12)25-18(24)20-14/h3-8,10H,1-2,9H2,(H,19,23)(H,20,24)
InChIKeyXKEPIBIDWJRCAI-UHFFFAOYSA-N
MW337.34 g/mol
LogP2.50
Rot. Bonds3

About N-(2-oxo-3H-1,3-benzoxazol-6-yl)-4-(2-oxopyrrolidin-1-yl)benzamide

N-(2-oxo-3H-1,3-benzoxazol-6-yl)-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 110616378) has the molecular formula C18H15N3O4 and a molecular weight of 337.34 g/mol. Its IUPAC name is N-(2-oxo-3H-1,3-benzoxazol-6-yl)-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(2-oxo-3H-1,3-benzoxazol-6-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID110616378
Molecular FormulaC18H15N3O4
Molecular Weight337.34 g/mol
Exact Mass337.11
IUPAC NameN-(2-oxo-3H-1,3-benzoxazol-6-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(Nc1ccc2[nH]c(=O)oc2c1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H15N3O4/c22-16-2-1-9-21(16)13-6-3-11(4-7-13)17(23)19-12-5-8-14-15(10-12)25-18(24)20-14/h3-8,10H,1-2,9H2,(H,19,23)(H,20,24)
InChIKeyXKEPIBIDWJRCAI-UHFFFAOYSA-N
XLogP2.50
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzamide
CID 50797084
4-acetamido-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 78788340
4-(carbamoylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 26127679
4-(2-oxopyrrolidin-1-yl)-N-(4-piperidin-1-ylphenyl)benzamide
CID 7922377
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-1H-indole-5-carboxamide
CID 112523027
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18204867
methyl 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate
CID 8747295
N-(2-cyclobutyl-3H-benzimidazol-5-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 60613246
N-(4-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9412020
N-[4-(2-methylpropanoylamino)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 26680013
N-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 9371428
N-(4-acetylphenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 9242933

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-3H-1,3-benzoxazol-6-yl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-(2-oxo-3H-1,3-benzoxazol-6-yl)-4-(2-oxopyrrolidin-1-yl)benzamide (CID 110616378) is N-(2-oxo-3H-1,3-benzoxazol-6-yl)-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-(2-oxo-3H-1,3-benzoxazol-6-yl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-(2-oxo-3H-1,3-benzoxazol-6-yl)-4-(2-oxopyrrolidin-1-yl)benzamide is O=C(Nc1ccc2[nH]c(=O)oc2c1)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-(2-oxo-3H-1,3-benzoxazol-6-yl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is XKEPIBIDWJRCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4/c22-16-2-1-9-21(16)13-6-3-11(4-7-13)17(23)19-12-5-8-14-15(10-12)25-18(24)20-14/h3-8,10H,1-2,9H2,(H,19,23)(H,20,24).
What are the key properties of N-(2-oxo-3H-1,3-benzoxazol-6-yl)-4-(2-oxopyrrolidin-1-yl)benzamide?
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 337.34 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-3H-1,3-benzoxazol-6-yl)-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 110616378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).