N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)morpholine-2-carboxamide

C13H15N3O4 — CID 119768162

IUPACN-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)morpholine-2-carboxamide
SMILESCn1c(=O)oc2ccc(NC(=O)C3CNCCO3)cc21
InChIInChI=1S/C13H15N3O4/c1-16-9-6-8(2-3-10(9)20-13(16)18)15-12(17)11-7-14-4-5-19-11/h2-3,6,11,14H,4-5,7H2,1H3,(H,15,17)
InChIKeyIKTKQWLLEXSGMP-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.06
Rot. Bonds2

About N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)morpholine-2-carboxamide

N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)morpholine-2-carboxamide (PubChem CID 119768162) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)morpholine-2-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)morpholine-2-carboxamide
PubChem CID119768162
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC NameN-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)morpholine-2-carboxamide
SMILESCn1c(=O)oc2ccc(NC(=O)C3CNCCO3)cc21
InChIInChI=1S/C13H15N3O4/c1-16-9-6-8(2-3-10(9)20-13(16)18)15-12(17)11-7-14-4-5-19-11/h2-3,6,11,14H,4-5,7H2,1H3,(H,15,17)
InChIKeyIKTKQWLLEXSGMP-UHFFFAOYSA-N
XLogP0.06
TPSA85.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-oxochromen-6-yl)morpholine-2-carboxamide
CID 119743887
N-(4-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119670966
(2S,5R)-5-(aminomethyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)oxolane-2-carboxamide
CID 120791570
N-(2-ethyl-1,3-benzoxazol-5-yl)morpholine-2-carboxamide;hydrochloride
CID 119725986
N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)morpholine-2-carboxamide;hydrochloride
CID 119708989
N-[4-(cyclopropanecarbonylamino)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119700164
N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]morpholine-2-carboxamide;hydrochloride
CID 119749017
N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-4-carboxamide;hydrochloride
CID 119312603
N-quinoxalin-6-ylmorpholine-2-carboxamide;hydrochloride
CID 119708415
N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)morpholine-2-carboxamide
CID 119788439
N-(3-chloro-4-methylsulfanylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119772470
N-[3-(carbamoylamino)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119702027

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)morpholine-2-carboxamide?
The IUPAC name of N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)morpholine-2-carboxamide (CID 119768162) is N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)morpholine-2-carboxamide.
What is the SMILES notation for N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)morpholine-2-carboxamide?
The canonical SMILES for N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)morpholine-2-carboxamide is Cn1c(=O)oc2ccc(NC(=O)C3CNCCO3)cc21.
What is the InChIKey of N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)morpholine-2-carboxamide?
The InChIKey is IKTKQWLLEXSGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-16-9-6-8(2-3-10(9)20-13(16)18)15-12(17)11-7-14-4-5-19-11/h2-3,6,11,14H,4-5,7H2,1H3,(H,15,17).
What are the key properties of N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)morpholine-2-carboxamide?
N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)morpholine-2-carboxamide has a molecular weight of 277.28 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)morpholine-2-carboxamide is sourced from PubChem (CID 119768162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).