N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pyrrolidine-2-carboxamide;hydrochloride

C13H16ClN3O3 — CID 119312607

IUPACN-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.Cn1c(=O)oc2cc(NC(=O)C3CCCN3)ccc21
InChIInChI=1S/C13H15N3O3.ClH/c1-16-10-5-4-8(7-11(10)19-13(16)18)15-12(17)9-3-2-6-14-9;/h4-5,7,9,14H,2-3,6H2,1H3,(H,15,17);1H
InChIKeyVROQAWULCIPKPM-UHFFFAOYSA-N
MW297.74 g/mol
LogP1.24
Rot. Bonds2

About N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pyrrolidine-2-carboxamide;hydrochloride

N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119312607) has the molecular formula C13H16ClN3O3 and a molecular weight of 297.74 g/mol. Its IUPAC name is N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119312607
Molecular FormulaC13H16ClN3O3
Molecular Weight297.74 g/mol
Exact Mass297.09
IUPAC NameN-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.Cn1c(=O)oc2cc(NC(=O)C3CCCN3)ccc21
InChIInChI=1S/C13H15N3O3.ClH/c1-16-10-5-4-8(7-11(10)19-13(16)18)15-12(17)9-3-2-6-14-9;/h4-5,7,9,14H,2-3,6H2,1H3,(H,15,17);1H
InChIKeyVROQAWULCIPKPM-UHFFFAOYSA-N
XLogP1.24
TPSA76.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-4-carboxamide;hydrochloride
CID 119312603
(2S)-N-(1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide
CID 61178864
N-(2-methyl-1,3-benzoxazol-6-yl)pyrrolidine-2-carboxamide
CID 83627392
(2S)-N-(1-methyl-2-oxo-4-pyridinyl)pyrrolidine-2-carboxamide
CID 164573536
N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1-prop-2-enoylpyrrolidine-2-carboxamide
CID 166411006
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
(2S)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)piperidine-2-carboxamide;hydrochloride
CID 119709884
N-(1-propylindol-5-yl)pyrrolidine-2-carboxamide
CID 119865612
(2S)-N-(9-ethylcarbazol-3-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119262851
N-(2H-benzotriazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119280134
(2S)-N-(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 67505940
N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide
CID 18073046

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pyrrolidine-2-carboxamide;hydrochloride (CID 119312607) is N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pyrrolidine-2-carboxamide;hydrochloride is Cl.Cn1c(=O)oc2cc(NC(=O)C3CCCN3)ccc21.
What is the InChIKey of N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is VROQAWULCIPKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3.ClH/c1-16-10-5-4-8(7-11(10)19-13(16)18)15-12(17)9-3-2-6-14-9;/h4-5,7,9,14H,2-3,6H2,1H3,(H,15,17);1H.
What are the key properties of N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pyrrolidine-2-carboxamide;hydrochloride?
N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 297.74 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119312607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).