N-(2-ethyl-1,3-benzoxazol-5-yl)morpholine-2-carboxamide;hydrochloride

C14H18ClN3O3 — CID 119725986

IUPACN-(2-ethyl-1,3-benzoxazol-5-yl)morpholine-2-carboxamide;hydrochloride
SMILESCCc1nc2cc(NC(=O)C3CNCCO3)ccc2o1.Cl
InChIInChI=1S/C14H17N3O3.ClH/c1-2-13-17-10-7-9(3-4-11(10)20-13)16-14(18)12-8-15-5-6-19-12;/h3-4,7,12,15H,2,5-6,8H2,1H3,(H,16,18);1H
InChIKeyCMWFPBZMDPROGN-UHFFFAOYSA-N
MW311.77 g/mol
LogP1.74
Rot. Bonds3

About N-(2-ethyl-1,3-benzoxazol-5-yl)morpholine-2-carboxamide;hydrochloride

N-(2-ethyl-1,3-benzoxazol-5-yl)morpholine-2-carboxamide;hydrochloride (PubChem CID 119725986) has the molecular formula C14H18ClN3O3 and a molecular weight of 311.77 g/mol. Its IUPAC name is N-(2-ethyl-1,3-benzoxazol-5-yl)morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-ethyl-1,3-benzoxazol-5-yl)morpholine-2-carboxamide;hydrochloride
PubChem CID119725986
Molecular FormulaC14H18ClN3O3
Molecular Weight311.77 g/mol
Exact Mass311.10
IUPAC NameN-(2-ethyl-1,3-benzoxazol-5-yl)morpholine-2-carboxamide;hydrochloride
SMILESCCc1nc2cc(NC(=O)C3CNCCO3)ccc2o1.Cl
InChIInChI=1S/C14H17N3O3.ClH/c1-2-13-17-10-7-9(3-4-11(10)20-13)16-14(18)12-8-15-5-6-19-12;/h3-4,7,12,15H,2,5-6,8H2,1H3,(H,16,18);1H
InChIKeyCMWFPBZMDPROGN-UHFFFAOYSA-N
XLogP1.74
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(2-ethyl-1,3-benzoxazol-5-yl)oxolane-2-carboxamide
CID 94194100
N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]morpholine-2-carboxamide;hydrochloride
CID 119749017
N-(2-ethyl-1,3-benzoxazol-5-yl)piperidine-2-carboxamide;hydrochloride
CID 119290748
N-(2-oxochromen-6-yl)morpholine-2-carboxamide
CID 119743887
N-quinoxalin-6-ylmorpholine-2-carboxamide;hydrochloride
CID 119708415
(2R,3R)-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-methyloxolane-2-carboxamide
CID 96997193
N-(3-ethylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119675709
N-(4-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119670966
N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)morpholine-2-carboxamide
CID 119768162
N-(2-ethyl-1,3-benzoxazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119290749
(2R)-N-(2-butyl-3H-benzimidazol-5-yl)morpholine-2-carboxamide
CID 126779606
N-(1,3-benzothiazol-5-yl)morpholine-2-carboxamide
CID 119735663

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-1,3-benzoxazol-5-yl)morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-ethyl-1,3-benzoxazol-5-yl)morpholine-2-carboxamide;hydrochloride (CID 119725986) is N-(2-ethyl-1,3-benzoxazol-5-yl)morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-ethyl-1,3-benzoxazol-5-yl)morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-ethyl-1,3-benzoxazol-5-yl)morpholine-2-carboxamide;hydrochloride is CCc1nc2cc(NC(=O)C3CNCCO3)ccc2o1.Cl.
What is the InChIKey of N-(2-ethyl-1,3-benzoxazol-5-yl)morpholine-2-carboxamide;hydrochloride?
The InChIKey is CMWFPBZMDPROGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3.ClH/c1-2-13-17-10-7-9(3-4-11(10)20-13)16-14(18)12-8-15-5-6-19-12;/h3-4,7,12,15H,2,5-6,8H2,1H3,(H,16,18);1H.
What are the key properties of N-(2-ethyl-1,3-benzoxazol-5-yl)morpholine-2-carboxamide;hydrochloride?
N-(2-ethyl-1,3-benzoxazol-5-yl)morpholine-2-carboxamide;hydrochloride has a molecular weight of 311.77 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-1,3-benzoxazol-5-yl)morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119725986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).