N-(2-amino-2-methylpropyl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride

C14H17Cl2N3O2 — CID 119630177

IUPACN-(2-amino-2-methylpropyl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride
SMILESCC(C)(N)CNC(=O)c1cc(-c2cccc(Cl)c2)on1.Cl
InChIInChI=1S/C14H16ClN3O2.ClH/c1-14(2,16)8-17-13(19)11-7-12(20-18-11)9-4-3-5-10(15)6-9;/h3-7H,8,16H2,1-2H3,(H,17,19);1H
InChIKeyKNCCPBFMYDJMMA-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.88
Rot. Bonds4

About N-(2-amino-2-methylpropyl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride

N-(2-amino-2-methylpropyl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride (PubChem CID 119630177) has the molecular formula C14H17Cl2N3O2 and a molecular weight of 330.22 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride
PubChem CID119630177
Molecular FormulaC14H17Cl2N3O2
Molecular Weight330.22 g/mol
Exact Mass329.07
IUPAC NameN-(2-amino-2-methylpropyl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride
SMILESCC(C)(N)CNC(=O)c1cc(-c2cccc(Cl)c2)on1.Cl
InChIInChI=1S/C14H16ClN3O2.ClH/c1-14(2,16)8-17-13(19)11-7-12(20-18-11)9-4-3-5-10(15)6-9;/h3-7H,8,16H2,1-2H3,(H,17,19);1H
InChIKeyKNCCPBFMYDJMMA-UHFFFAOYSA-N
XLogP2.88
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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5-(3-chlorophenyl)-N-[2-(methylamino)propyl]-1,2-oxazole-3-carboxamide;hydrochloride
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N-(2-amino-2-methylpropyl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide;dihydrochloride
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CID 120652870
5-(3-chlorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
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tert-butyl 4-[3-[[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]propyl]piperazine-1-carboxylate
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N-[2-(3-chlorophenyl)-2-methoxypropyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
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N-(5-chloro-2-methoxyphenyl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 17252987
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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride (CID 119630177) is N-(2-amino-2-methylpropyl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride is CC(C)(N)CNC(=O)c1cc(-c2cccc(Cl)c2)on1.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride?
The InChIKey is KNCCPBFMYDJMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2.ClH/c1-14(2,16)8-17-13(19)11-7-12(20-18-11)9-4-3-5-10(15)6-9;/h3-7H,8,16H2,1-2H3,(H,17,19);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride?
N-(2-amino-2-methylpropyl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride has a molecular weight of 330.22 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119630177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).