1-(2,1-benzoxazole-3-carbonyl)pyrrolidine-2-carboxamide

C13H13N3O3 — CID 154306705

IUPAC1-(2,1-benzoxazole-3-carbonyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C(=O)c1onc2ccccc12
InChIInChI=1S/C13H13N3O3/c14-12(17)10-6-3-7-16(10)13(18)11-8-4-1-2-5-9(8)15-19-11/h1-2,4-5,10H,3,6-7H2,(H2,14,17)
InChIKeyVDISWJHJQNKZME-UHFFFAOYSA-N
MW259.26 g/mol
LogP0.92
Rot. Bonds2

About 1-(2,1-benzoxazole-3-carbonyl)pyrrolidine-2-carboxamide

1-(2,1-benzoxazole-3-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 154306705) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 1-(2,1-benzoxazole-3-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2,1-benzoxazole-3-carbonyl)pyrrolidine-2-carboxamide
PubChem CID154306705
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name1-(2,1-benzoxazole-3-carbonyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C(=O)c1onc2ccccc12
InChIInChI=1S/C13H13N3O3/c14-12(17)10-6-3-7-16(10)13(18)11-8-4-1-2-5-9(8)15-19-11/h1-2,4-5,10H,3,6-7H2,(H2,14,17)
InChIKeyVDISWJHJQNKZME-UHFFFAOYSA-N
XLogP0.92
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(4aR,7aR)-6-[1-(trifluoromethyl)cyclopropanecarbonyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]-(2,1-benzoxazol-3-yl)methanone
CID 171675416
2-(2-carbamoylpyrrolidine-1-carbonyl)benzoic acid
CID 43396532
1-(4-oxo-3-phenylphthalazine-1-carbonyl)pyrrolidine-2-carboxamide
CID 42897417
1-(4-hydroxybenzoyl)pyrrolidine-2-carboxamide
CID 43212216
1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 60659210
(2R)-1-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]pyrrolidine-2-carboxamide
CID 39377779
1-(2-chlorofuran-3-carbonyl)pyrrolidine-2-carboxamide
CID 106685344
1-[4-(1-hydroxyethyl)-3-(4-methoxyphenyl)-1,2-oxazole-5-carbonyl]pyrrolidine-2-carboxamide
CID 162897099
1-(6-chloropyridine-2-carbonyl)pyrrolidine-2-carboxamide
CID 55052299
1-(3-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxamide
CID 11492936
1-(2-aminoquinazolin-4-yl)pyrrolidine-2-carboxamide
CID 80765389
1-(3H-benzimidazole-5-carbonyl)pyrrolidine-2-carboxamide
CID 43582965

Frequently Asked Questions

What is the IUPAC name of 1-(2,1-benzoxazole-3-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2,1-benzoxazole-3-carbonyl)pyrrolidine-2-carboxamide (CID 154306705) is 1-(2,1-benzoxazole-3-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2,1-benzoxazole-3-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2,1-benzoxazole-3-carbonyl)pyrrolidine-2-carboxamide is NC(=O)C1CCCN1C(=O)c1onc2ccccc12.
What is the InChIKey of 1-(2,1-benzoxazole-3-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is VDISWJHJQNKZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c14-12(17)10-6-3-7-16(10)13(18)11-8-4-1-2-5-9(8)15-19-11/h1-2,4-5,10H,3,6-7H2,(H2,14,17).
What are the key properties of 1-(2,1-benzoxazole-3-carbonyl)pyrrolidine-2-carboxamide?
1-(2,1-benzoxazole-3-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 259.26 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,1-benzoxazole-3-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 154306705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).