N-(2-amino-2-ethylbutyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride

C17H23Cl2N3O2 — CID 119641872

IUPACN-(2-amino-2-ethylbutyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)c1c(-c2ccccc2Cl)noc1C.Cl
InChIInChI=1S/C17H22ClN3O2.ClH/c1-4-17(19,5-2)10-20-16(22)14-11(3)23-21-15(14)12-8-6-7-9-13(12)18;/h6-9H,4-5,10,19H2,1-3H3,(H,20,22);1H
InChIKeyUFZATRLSSCNPHM-UHFFFAOYSA-N
MW372.30 g/mol
LogP3.97
Rot. Bonds6

About N-(2-amino-2-ethylbutyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride

N-(2-amino-2-ethylbutyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride (PubChem CID 119641872) has the molecular formula C17H23Cl2N3O2 and a molecular weight of 372.30 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride
PubChem CID119641872
Molecular FormulaC17H23Cl2N3O2
Molecular Weight372.30 g/mol
Exact Mass371.12
IUPAC NameN-(2-amino-2-ethylbutyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)c1c(-c2ccccc2Cl)noc1C.Cl
InChIInChI=1S/C17H22ClN3O2.ClH/c1-4-17(19,5-2)10-20-16(22)14-11(3)23-21-15(14)12-8-6-7-9-13(12)18;/h6-9H,4-5,10,19H2,1-3H3,(H,20,22);1H
InChIKeyUFZATRLSSCNPHM-UHFFFAOYSA-N
XLogP3.97
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-methylpropyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 119628283
3-(2-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 121111972
3-(2-chlorophenyl)-N-[4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]butyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4182103
3-(2-chlorophenyl)-N-[3-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]propyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4102292
N-(3-amino-2-methylpropyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride
CID 119998048
3-(2-chlorophenyl)-5-methyl-N-undecyl-1,2-oxazole-4-carboxamide
CID 4127168
3-(2-chlorophenyl)-N-(3-ethylpent-1-yn-3-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 2803123
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 99980124
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 92659553
3-(2-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 1009220
3-(2-chlorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 124891742
N-[(4-bromothiophen-2-yl)methyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 78892389

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride (CID 119641872) is N-(2-amino-2-ethylbutyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride is CCC(N)(CC)CNC(=O)c1c(-c2ccccc2Cl)noc1C.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride?
The InChIKey is UFZATRLSSCNPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2.ClH/c1-4-17(19,5-2)10-20-16(22)14-11(3)23-21-15(14)12-8-6-7-9-13(12)18;/h6-9H,4-5,10,19H2,1-3H3,(H,20,22);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride has a molecular weight of 372.30 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119641872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).