(2R)-N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)morpholine-2-carboxamide

C14H21N3O3 — CID 95725642

IUPAC(2R)-N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)morpholine-2-carboxamide
SMILESCN(Cc1noc2c1CCCC2)C(=O)[C@H]1CNCCO1
InChIInChI=1S/C14H21N3O3/c1-17(14(18)13-8-15-6-7-19-13)9-11-10-4-2-3-5-12(10)20-16-11/h13,15H,2-9H2,1H3/t13-/m1/s1
InChIKeyWNHPITSYGKRTOK-CYBMUJFWSA-N
MW279.34 g/mol
LogP0.50
Rot. Bonds3

About (2R)-N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)morpholine-2-carboxamide

(2R)-N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)morpholine-2-carboxamide (PubChem CID 95725642) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is (2R)-N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)morpholine-2-carboxamide
PubChem CID95725642
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name(2R)-N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)morpholine-2-carboxamide
SMILESCN(Cc1noc2c1CCCC2)C(=O)[C@H]1CNCCO1
InChIInChI=1S/C14H21N3O3/c1-17(14(18)13-8-15-6-7-19-13)9-11-10-4-2-3-5-12(10)20-16-11/h13,15H,2-9H2,1H3/t13-/m1/s1
InChIKeyWNHPITSYGKRTOK-CYBMUJFWSA-N
XLogP0.50
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methylmorpholine-2-carboxamide
CID 95724851
N-methyl-N-(oxolan-2-ylmethyl)morpholine-2-carboxamide;hydrochloride
CID 119708798
N-(1H-imidazol-2-ylmethyl)-N-methylmorpholine-2-carboxamide
CID 64519803
N-(2-hydroxypropyl)-N-methylmorpholine-2-carboxamide
CID 62333960
(2R)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-2-carboxamide
CID 124557647
N-[(4-methoxy-3-methylphenyl)methyl]-N-methylmorpholine-2-carboxamide
CID 119766949
N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylmorpholine-2-carboxamide;hydrochloride
CID 119751324
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide;dihydrochloride
CID 119841640
N,N-dimethylmorpholine-2-carboxamide;ethane
CID 144883589
N,N-dimethylmorpholine-2-carboxamide;hydrochloride
CID 71298970
N-[(2-bromophenyl)methyl]-N-methylmorpholine-2-carboxamide;hydrochloride
CID 119681071
N-(2,2-difluoroethyl)-N-methylmorpholine-2-carboxamide;hydrochloride
CID 119752897

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)morpholine-2-carboxamide?
The IUPAC name of (2R)-N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)morpholine-2-carboxamide (CID 95725642) is (2R)-N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)morpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)morpholine-2-carboxamide?
The canonical SMILES for (2R)-N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)morpholine-2-carboxamide is CN(Cc1noc2c1CCCC2)C(=O)[C@H]1CNCCO1.
What is the InChIKey of (2R)-N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)morpholine-2-carboxamide?
The InChIKey is WNHPITSYGKRTOK-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-17(14(18)13-8-15-6-7-19-13)9-11-10-4-2-3-5-12(10)20-16-11/h13,15H,2-9H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)morpholine-2-carboxamide?
(2R)-N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)morpholine-2-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)morpholine-2-carboxamide is sourced from PubChem (CID 95725642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).