(2R,3S)-2-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)morpholine-3-carboxamide

C14H17N3O3 — CID 120938679

IUPAC(2R,3S)-2-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)morpholine-3-carboxamide
SMILESCc1nc2ccc(NC(=O)[C@H]3NCCO[C@@H]3C)cc2o1
InChIInChI=1S/C14H17N3O3/c1-8-13(15-5-6-19-8)14(18)17-10-3-4-11-12(7-10)20-9(2)16-11/h3-4,7-8,13,15H,5-6H2,1-2H3,(H,17,18)/t8-,13+/m1/s1
InChIKeyWUINLCLJIPWTPF-OQPBUACISA-N
MW275.31 g/mol
LogP1.45
Rot. Bonds2

About (2R,3S)-2-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)morpholine-3-carboxamide

(2R,3S)-2-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)morpholine-3-carboxamide (PubChem CID 120938679) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)morpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)morpholine-3-carboxamide
PubChem CID120938679
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name(2R,3S)-2-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)morpholine-3-carboxamide
SMILESCc1nc2ccc(NC(=O)[C@H]3NCCO[C@@H]3C)cc2o1
InChIInChI=1S/C14H17N3O3/c1-8-13(15-5-6-19-8)14(18)17-10-3-4-11-12(7-10)20-9(2)16-11/h3-4,7-8,13,15H,5-6H2,1-2H3,(H,17,18)/t8-,13+/m1/s1
InChIKeyWUINLCLJIPWTPF-OQPBUACISA-N
XLogP1.45
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-1,3-benzoxazol-6-yl)morpholine-3-carboxamide
CID 119842871
N-(2-methyl-1,3-benzoxazol-6-yl)pyrrolidine-2-carboxamide
CID 83627392
(2R,3S)-N-(4-acetamidophenyl)-2-methylmorpholine-3-carboxamide
CID 120916743
2-[(2-methyl-1,3-benzoxazol-6-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120974727
(2R,3S)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-methylmorpholine-3-carboxamide
CID 120939468
(2R,3S)-2-methyl-N-(2-methylimidazo[1,2-a]pyridin-6-yl)morpholine-3-carboxamide
CID 120940913
(2R,3S)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120939467
(2R,3S)-N-(4-iodophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917297
(2R,3S)-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-methylmorpholine-3-carboxamide
CID 166238515
(2R,3S)-2-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]morpholine-3-carboxamide;dihydrochloride
CID 120939827
(2R,3S)-N-(3-bromo-4-fluorophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120922063
N-(2-methyl-1,3-benzoxazol-6-yl)carbamoyl bromide
CID 115193310

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)morpholine-3-carboxamide?
The IUPAC name of (2R,3S)-2-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)morpholine-3-carboxamide (CID 120938679) is (2R,3S)-2-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)morpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)morpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-2-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)morpholine-3-carboxamide is Cc1nc2ccc(NC(=O)[C@H]3NCCO[C@@H]3C)cc2o1.
What is the InChIKey of (2R,3S)-2-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)morpholine-3-carboxamide?
The InChIKey is WUINLCLJIPWTPF-OQPBUACISA-N. The full InChI is InChI=1S/C14H17N3O3/c1-8-13(15-5-6-19-8)14(18)17-10-3-4-11-12(7-10)20-9(2)16-11/h3-4,7-8,13,15H,5-6H2,1-2H3,(H,17,18)/t8-,13+/m1/s1.
What are the key properties of (2R,3S)-2-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)morpholine-3-carboxamide?
(2R,3S)-2-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)morpholine-3-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)morpholine-3-carboxamide is sourced from PubChem (CID 120938679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).