N-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]morpholine-2-carboxamide;hydrochloride

C17H22ClN3O3 — CID 119765994

IUPACN-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]morpholine-2-carboxamide;hydrochloride
SMILESCc1ccc(-c2nc(CCNC(=O)C3CNCCO3)co2)cc1.Cl
InChIInChI=1S/C17H21N3O3.ClH/c1-12-2-4-13(5-3-12)17-20-14(11-23-17)6-7-19-16(21)15-10-18-8-9-22-15;/h2-5,11,15,18H,6-10H2,1H3,(H,19,21);1H
InChIKeyIOGKEHIZAZQKKC-UHFFFAOYSA-N
MW351.83 g/mol
LogP1.72
Rot. Bonds5

About N-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]morpholine-2-carboxamide;hydrochloride

N-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119765994) has the molecular formula C17H22ClN3O3 and a molecular weight of 351.83 g/mol. Its IUPAC name is N-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]morpholine-2-carboxamide;hydrochloride
PubChem CID119765994
Molecular FormulaC17H22ClN3O3
Molecular Weight351.83 g/mol
Exact Mass351.13
IUPAC NameN-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]morpholine-2-carboxamide;hydrochloride
SMILESCc1ccc(-c2nc(CCNC(=O)C3CNCCO3)co2)cc1.Cl
InChIInChI=1S/C17H21N3O3.ClH/c1-12-2-4-13(5-3-12)17-20-14(11-23-17)6-7-19-16(21)15-10-18-8-9-22-15;/h2-5,11,15,18H,6-10H2,1H3,(H,19,21);1H
InChIKeyIOGKEHIZAZQKKC-UHFFFAOYSA-N
XLogP1.72
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-imidazo[1,2-a]pyridin-2-ylethyl)morpholine-2-carboxamide;dihydrochloride
CID 119840691
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CID 119837229
N-(4-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119670966
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]morpholine-2-carboxamide
CID 106416037
4-(methoxymethyl)-N-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]piperidine-4-carboxamide
CID 120629818
N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]morpholine-2-carboxamide;hydrochloride
CID 119696616
N-(3-pyridin-2-ylpropyl)morpholine-2-carboxamide;dihydrochloride
CID 154911195
1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]urea
CID 111455113
1-ethyl-1-(2-hydroxyethyl)-3-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]urea
CID 110923051
(2R)-N-[2-(1H-benzimidazol-2-yl)ethyl]morpholine-2-carboxamide
CID 99824773
1-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122000012
N-[2-(2-methoxyphenyl)ethyl]morpholine-2-carboxamide
CID 103808140

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]morpholine-2-carboxamide;hydrochloride (CID 119765994) is N-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]morpholine-2-carboxamide;hydrochloride is Cc1ccc(-c2nc(CCNC(=O)C3CNCCO3)co2)cc1.Cl.
What is the InChIKey of N-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is IOGKEHIZAZQKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3.ClH/c1-12-2-4-13(5-3-12)17-20-14(11-23-17)6-7-19-16(21)15-10-18-8-9-22-15;/h2-5,11,15,18H,6-10H2,1H3,(H,19,21);1H.
What are the key properties of N-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]morpholine-2-carboxamide;hydrochloride?
N-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 351.83 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119765994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).