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

C13H15N3O2 — CID 83627392

IUPACN-(2-methyl-1,3-benzoxazol-6-yl)pyrrolidine-2-carboxamide
SMILESCc1nc2ccc(NC(=O)C3CCCN3)cc2o1
InChIInChI=1S/C13H15N3O2/c1-8-15-10-5-4-9(7-12(10)18-8)16-13(17)11-3-2-6-14-11/h4-5,7,11,14H,2-3,6H2,1H3,(H,16,17)
InChIKeySHDNKSHTCGJPPQ-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.83
Rot. Bonds2

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

N-(2-methyl-1,3-benzoxazol-6-yl)pyrrolidine-2-carboxamide (PubChem CID 83627392) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzoxazol-6-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzoxazol-6-yl)pyrrolidine-2-carboxamide
PubChem CID83627392
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-(2-methyl-1,3-benzoxazol-6-yl)pyrrolidine-2-carboxamide
SMILESCc1nc2ccc(NC(=O)C3CCCN3)cc2o1
InChIInChI=1S/C13H15N3O2/c1-8-15-10-5-4-9(7-12(10)18-8)16-13(17)11-3-2-6-14-11/h4-5,7,11,14H,2-3,6H2,1H3,(H,16,17)
InChIKeySHDNKSHTCGJPPQ-UHFFFAOYSA-N
XLogP1.83
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-1,3-benzoxazol-6-yl)morpholine-3-carboxamide
CID 119842871
2-[(2-methyl-1,3-benzoxazol-6-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120974727
(2R,3S)-2-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)morpholine-3-carboxamide
CID 120938679
N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]pyrrolidine-2-carboxamide
CID 119303401
(2R)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]piperidine-2-carboxamide;dihydrochloride
CID 119893468
N-(2H-benzotriazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119280134
N-(2-methyl-1,3-benzoxazol-6-yl)carbamoyl bromide
CID 115193310
N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119312607
N-(3-iodo-4-methylphenyl)pyrrolidine-2-carboxamide
CID 43233890
(2S)-N-(4-fluoro-3-methylphenyl)pyrrolidine-2-carboxamide
CID 62812681
N-(2-ethyl-1,3-benzoxazol-5-yl)piperidine-2-carboxamide;hydrochloride
CID 119290748
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzoxazol-6-yl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(2-methyl-1,3-benzoxazol-6-yl)pyrrolidine-2-carboxamide (CID 83627392) is N-(2-methyl-1,3-benzoxazol-6-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-methyl-1,3-benzoxazol-6-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-methyl-1,3-benzoxazol-6-yl)pyrrolidine-2-carboxamide is Cc1nc2ccc(NC(=O)C3CCCN3)cc2o1.
What is the InChIKey of N-(2-methyl-1,3-benzoxazol-6-yl)pyrrolidine-2-carboxamide?
The InChIKey is SHDNKSHTCGJPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-8-15-10-5-4-9(7-12(10)18-8)16-13(17)11-3-2-6-14-11/h4-5,7,11,14H,2-3,6H2,1H3,(H,16,17).
What are the key properties of N-(2-methyl-1,3-benzoxazol-6-yl)pyrrolidine-2-carboxamide?
N-(2-methyl-1,3-benzoxazol-6-yl)pyrrolidine-2-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzoxazol-6-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 83627392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).