3-amino-N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]butanamide;hydrochloride

C15H19Cl2N3O2 — CID 119815783

IUPAC3-amino-N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]butanamide;hydrochloride
SMILESCc1nc(CNC(=O)CC(C)N)oc1-c1ccc(Cl)cc1.Cl
InChIInChI=1S/C15H18ClN3O2.ClH/c1-9(17)7-13(20)18-8-14-19-10(2)15(21-14)11-3-5-12(16)6-4-11;/h3-6,9H,7-8,17H2,1-2H3,(H,18,20);1H
InChIKeyWIKLZLPARQPHKG-UHFFFAOYSA-N
MW344.24 g/mol
LogP3.08
Rot. Bonds5

About 3-amino-N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]butanamide;hydrochloride

3-amino-N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]butanamide;hydrochloride (PubChem CID 119815783) has the molecular formula C15H19Cl2N3O2 and a molecular weight of 344.24 g/mol. Its IUPAC name is 3-amino-N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]butanamide;hydrochloride
PubChem CID119815783
Molecular FormulaC15H19Cl2N3O2
Molecular Weight344.24 g/mol
Exact Mass343.09
IUPAC Name3-amino-N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]butanamide;hydrochloride
SMILESCc1nc(CNC(=O)CC(C)N)oc1-c1ccc(Cl)cc1.Cl
InChIInChI=1S/C15H18ClN3O2.ClH/c1-9(17)7-13(20)18-8-14-19-10(2)15(21-14)11-3-5-12(16)6-4-11;/h3-6,9H,7-8,17H2,1-2H3,(H,18,20);1H
InChIKeyWIKLZLPARQPHKG-UHFFFAOYSA-N
XLogP3.08
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-3-methoxypropanamide
CID 120992190
[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methanamine
CID 71683764
N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]pyrrolidine-2-carboxamide
CID 119342019
2-(chloromethyl)-5-(4-chlorophenyl)-4-methyl-1,3-oxazole
CID 43144205
N-[3-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methylamino]-2-methylphenyl]butanamide
CID 99717177
3-acetamido-3-(4-chlorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]propanamide
CID 87043579
N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 133430389
N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 133491495
2-(2-chloroethyl)-5-(4-chlorophenyl)-4-methyl-1,3-oxazole
CID 43144310
(E)-3-(1,3-benzothiazol-2-yl)-N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]prop-2-enamide
CID 75535860
N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-N-propan-2-ylmethanesulfonamide
CID 154741999
3-amino-N-[(2,4-dichlorophenyl)methyl]butanamide
CID 115154234

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]butanamide;hydrochloride (CID 119815783) is 3-amino-N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]butanamide;hydrochloride is Cc1nc(CNC(=O)CC(C)N)oc1-c1ccc(Cl)cc1.Cl.
What is the InChIKey of 3-amino-N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]butanamide;hydrochloride?
The InChIKey is WIKLZLPARQPHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2.ClH/c1-9(17)7-13(20)18-8-14-19-10(2)15(21-14)11-3-5-12(16)6-4-11;/h3-6,9H,7-8,17H2,1-2H3,(H,18,20);1H.
What are the key properties of 3-amino-N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]butanamide;hydrochloride?
3-amino-N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]butanamide;hydrochloride has a molecular weight of 344.24 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]butanamide;hydrochloride is sourced from PubChem (CID 119815783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).