N-(1-aminopropan-2-yl)-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide;hydrochloride

C14H18ClN3O2 — CID 119584563

IUPACN-(1-aminopropan-2-yl)-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide;hydrochloride
SMILESCC(CN)N(C)C(=O)c1cc(-c2ccccc2)no1.Cl
InChIInChI=1S/C14H17N3O2.ClH/c1-10(9-15)17(2)14(18)13-8-12(16-19-13)11-6-4-3-5-7-11;/h3-8,10H,9,15H2,1-2H3;1H
InChIKeyZTCTYHIHHMSIRF-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.18
Rot. Bonds4

About N-(1-aminopropan-2-yl)-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide;hydrochloride

N-(1-aminopropan-2-yl)-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide;hydrochloride (PubChem CID 119584563) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide;hydrochloride
PubChem CID119584563
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC NameN-(1-aminopropan-2-yl)-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide;hydrochloride
SMILESCC(CN)N(C)C(=O)c1cc(-c2ccccc2)no1.Cl
InChIInChI=1S/C14H17N3O2.ClH/c1-10(9-15)17(2)14(18)13-8-12(16-19-13)11-6-4-3-5-7-11;/h3-8,10H,9,15H2,1-2H3;1H
InChIKeyZTCTYHIHHMSIRF-UHFFFAOYSA-N
XLogP2.18
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-aminopropan-2-yl)-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[(3-phenyl-1,2-oxazole-5-carbonyl)-propan-2-ylamino]acetate
CID 78885231
N-[(2-bromophenyl)methyl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide
CID 46482012
N-(5-hydroxypentyl)-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide
CID 107202129
1-(3-phenyl-1,2-oxazol-5-yl)butan-1-one
CID 10130602
N-[(3S)-3-ethoxy-4-methylpentyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 95935380
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide
CID 46481979
3-(dimethylamino)-1-(3-phenyl-1,2-oxazol-5-yl)prop-2-en-1-one
CID 2745542
N-methyl-3-(4-methylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]-1,2-oxazole-5-carboxamide
CID 97314515
N-(1-aminopropan-2-yl)-5-(furan-2-yl)-N-methyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119584815
3-[methyl-[3-[3-[(2-methylphenyl)sulfonylcarbamoylamino]phenyl]-1,2-oxazole-5-carbonyl]amino]butanoic acid
CID 67354085
3-phenyl-N-piperidin-4-yl-N-propyl-1,2-oxazole-5-carboxamide
CID 119825777
N-(1-hydroxybutan-2-yl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 43428096

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide;hydrochloride (CID 119584563) is N-(1-aminopropan-2-yl)-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide;hydrochloride is CC(CN)N(C)C(=O)c1cc(-c2ccccc2)no1.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide;hydrochloride?
The InChIKey is ZTCTYHIHHMSIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2.ClH/c1-10(9-15)17(2)14(18)13-8-12(16-19-13)11-6-4-3-5-7-11;/h3-8,10H,9,15H2,1-2H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide;hydrochloride?
N-(1-aminopropan-2-yl)-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide;hydrochloride has a molecular weight of 295.77 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119584563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).