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

C13H15N3O3 — CID 119842871

IUPACN-(2-methyl-1,3-benzoxazol-6-yl)morpholine-3-carboxamide
SMILESCc1nc2ccc(NC(=O)C3COCCN3)cc2o1
InChIInChI=1S/C13H15N3O3/c1-8-15-10-3-2-9(6-12(10)19-8)16-13(17)11-7-18-5-4-14-11/h2-3,6,11,14H,4-5,7H2,1H3,(H,16,17)
InChIKeyDLLDFDMGQOZMFB-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.06
Rot. Bonds2

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

N-(2-methyl-1,3-benzoxazol-6-yl)morpholine-3-carboxamide (PubChem CID 119842871) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzoxazol-6-yl)morpholine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzoxazol-6-yl)morpholine-3-carboxamide
PubChem CID119842871
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN-(2-methyl-1,3-benzoxazol-6-yl)morpholine-3-carboxamide
SMILESCc1nc2ccc(NC(=O)C3COCCN3)cc2o1
InChIInChI=1S/C13H15N3O3/c1-8-15-10-3-2-9(6-12(10)19-8)16-13(17)11-7-18-5-4-14-11/h2-3,6,11,14H,4-5,7H2,1H3,(H,16,17)
InChIKeyDLLDFDMGQOZMFB-UHFFFAOYSA-N
XLogP1.06
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-1,3-benzoxazol-6-yl)pyrrolidine-2-carboxamide
CID 83627392
(2R,3S)-2-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)morpholine-3-carboxamide
CID 120938679
N-(2-methyl-3H-benzimidazol-5-yl)morpholine-3-carboxamide;dihydrochloride
CID 119838375
N-(3,4-dimethylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670622
N-(3H-benzimidazol-5-yl)morpholine-3-carboxamide
CID 115177562
N-(3-methylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670415
N-[3-(dimethylamino)-4-methylphenyl]morpholine-3-carboxamide
CID 115377301
2-[(2-methyl-1,3-benzoxazol-6-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120974727
N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119704465
N-(2-methyl-1,3-benzoxazol-6-yl)carbamoyl bromide
CID 115193310
(3R)-N-(2-methyl-1,3-benzoxazol-6-yl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
CID 124851972
N-(2-butyl-3H-benzimidazol-5-yl)morpholine-3-carboxamide
CID 119854376

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzoxazol-6-yl)morpholine-3-carboxamide?
The IUPAC name of N-(2-methyl-1,3-benzoxazol-6-yl)morpholine-3-carboxamide (CID 119842871) is N-(2-methyl-1,3-benzoxazol-6-yl)morpholine-3-carboxamide.
What is the SMILES notation for N-(2-methyl-1,3-benzoxazol-6-yl)morpholine-3-carboxamide?
The canonical SMILES for N-(2-methyl-1,3-benzoxazol-6-yl)morpholine-3-carboxamide is Cc1nc2ccc(NC(=O)C3COCCN3)cc2o1.
What is the InChIKey of N-(2-methyl-1,3-benzoxazol-6-yl)morpholine-3-carboxamide?
The InChIKey is DLLDFDMGQOZMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-8-15-10-3-2-9(6-12(10)19-8)16-13(17)11-7-18-5-4-14-11/h2-3,6,11,14H,4-5,7H2,1H3,(H,16,17).
What are the key properties of N-(2-methyl-1,3-benzoxazol-6-yl)morpholine-3-carboxamide?
N-(2-methyl-1,3-benzoxazol-6-yl)morpholine-3-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzoxazol-6-yl)morpholine-3-carboxamide is sourced from PubChem (CID 119842871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).