N-(1,3-benzoxazol-6-yl)-5-oxopyrrolidine-2-carboxamide

C12H11N3O3 — CID 110744616

IUPACN-(1,3-benzoxazol-6-yl)-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)Nc2ccc3ncoc3c2)N1
InChIInChI=1S/C12H11N3O3/c16-11-4-3-9(15-11)12(17)14-7-1-2-8-10(5-7)18-6-13-8/h1-2,5-6,9H,3-4H2,(H,14,17)(H,15,16)
InChIKeyUSTTVVIPRLVCQJ-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.04
Rot. Bonds2

About N-(1,3-benzoxazol-6-yl)-5-oxopyrrolidine-2-carboxamide

N-(1,3-benzoxazol-6-yl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 110744616) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is N-(1,3-benzoxazol-6-yl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzoxazol-6-yl)-5-oxopyrrolidine-2-carboxamide
PubChem CID110744616
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC NameN-(1,3-benzoxazol-6-yl)-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)Nc2ccc3ncoc3c2)N1
InChIInChI=1S/C12H11N3O3/c16-11-4-3-9(15-11)12(17)14-7-1-2-8-10(5-7)18-6-13-8/h1-2,5-6,9H,3-4H2,(H,14,17)(H,15,16)
InChIKeyUSTTVVIPRLVCQJ-UHFFFAOYSA-N
XLogP1.04
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-benzoxazol-6-ylcarbamic acid
CID 115170663
N-(3,4-difluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110689759
5-oxo-N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)pyrrolidine-2-carboxamide
CID 110793048
(2S)-N-(3-bromo-4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 675422
N-(4-methyl-2-oxochromen-7-yl)-5-oxopyrrolidine-2-carboxamide
CID 5102257
N-[2-(1,3-benzoxazol-5-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110741045
N-(3-chloro-4-hydroxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 64787520
N-(1,3-benzoxazol-6-yl)adamantane-1-carboxamide
CID 110728889
N-(3-aminophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110482254
N-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 103824877
(2R)-N-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 103824880
5-oxo-N-(2-phenyl-3H-benzimidazol-5-yl)pyrrolidine-2-carboxamide
CID 110796357

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-6-yl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(1,3-benzoxazol-6-yl)-5-oxopyrrolidine-2-carboxamide (CID 110744616) is N-(1,3-benzoxazol-6-yl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1,3-benzoxazol-6-yl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(1,3-benzoxazol-6-yl)-5-oxopyrrolidine-2-carboxamide is O=C1CCC(C(=O)Nc2ccc3ncoc3c2)N1.
What is the InChIKey of N-(1,3-benzoxazol-6-yl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is USTTVVIPRLVCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c16-11-4-3-9(15-11)12(17)14-7-1-2-8-10(5-7)18-6-13-8/h1-2,5-6,9H,3-4H2,(H,14,17)(H,15,16).
What are the key properties of N-(1,3-benzoxazol-6-yl)-5-oxopyrrolidine-2-carboxamide?
N-(1,3-benzoxazol-6-yl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 245.24 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-6-yl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110744616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).