N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]morpholine-3-carboxamide;hydrochloride

C15H18ClN3O3 — CID 119704465

IUPACN-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]morpholine-3-carboxamide;hydrochloride
SMILESCc1ncc(-c2ccc(NC(=O)C3COCCN3)cc2)o1.Cl
InChIInChI=1S/C15H17N3O3.ClH/c1-10-17-8-14(21-10)11-2-4-12(5-3-11)18-15(19)13-9-20-7-6-16-13;/h2-5,8,13,16H,6-7,9H2,1H3,(H,18,19);1H
InChIKeyBLHYUELPBWHGKL-UHFFFAOYSA-N
MW323.78 g/mol
LogP2.00
Rot. Bonds3

About N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]morpholine-3-carboxamide;hydrochloride

N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]morpholine-3-carboxamide;hydrochloride (PubChem CID 119704465) has the molecular formula C15H18ClN3O3 and a molecular weight of 323.78 g/mol. Its IUPAC name is N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]morpholine-3-carboxamide;hydrochloride
PubChem CID119704465
Molecular FormulaC15H18ClN3O3
Molecular Weight323.78 g/mol
Exact Mass323.10
IUPAC NameN-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]morpholine-3-carboxamide;hydrochloride
SMILESCc1ncc(-c2ccc(NC(=O)C3COCCN3)cc2)o1.Cl
InChIInChI=1S/C15H17N3O3.ClH/c1-10-17-8-14(21-10)11-2-4-12(5-3-11)18-15(19)13-9-20-7-6-16-13;/h2-5,8,13,16H,6-7,9H2,1H3,(H,18,19);1H
InChIKeyBLHYUELPBWHGKL-UHFFFAOYSA-N
XLogP2.00
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 119279210
N-[4-(1,2,4-oxadiazol-3-yl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119762118
N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]pyrrolidine-3-carboxamide
CID 119704502
N-(3,4-dimethylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670622
N-[4-(2-methylpropanoylamino)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119685241
N-(6-bromo-3-pyridinyl)morpholine-3-carboxamide
CID 103813891
N-(2-methyl-1,3-benzoxazol-6-yl)morpholine-3-carboxamide
CID 119842871
N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119279214
ethyl 4-(morpholine-3-carbonylamino)benzoate;hydrochloride
CID 119672431
(3S)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]morpholine-3-carboxamide
CID 166299163
N-(3-methylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670415
N-[4-(cyclopropylcarbamoylamino)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119702443

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]morpholine-3-carboxamide;hydrochloride (CID 119704465) is N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]morpholine-3-carboxamide;hydrochloride is Cc1ncc(-c2ccc(NC(=O)C3COCCN3)cc2)o1.Cl.
What is the InChIKey of N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is BLHYUELPBWHGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3.ClH/c1-10-17-8-14(21-10)11-2-4-12(5-3-11)18-15(19)13-9-20-7-6-16-13;/h2-5,8,13,16H,6-7,9H2,1H3,(H,18,19);1H.
What are the key properties of N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]morpholine-3-carboxamide;hydrochloride?
N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 323.78 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119704465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).