N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-2-oxo-3-(propan-2-ylamino)hexanamide

C19H24ClN3O3 — CID 163952439

IUPACN-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-2-oxo-3-(propan-2-ylamino)hexanamide
SMILESCCCC(NC(C)C)C(=O)C(=O)NCc1cc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C19H24ClN3O3/c1-4-5-16(22-12(2)3)18(24)19(25)21-11-15-10-17(23-26-15)13-6-8-14(20)9-7-13/h6-10,12,16,22H,4-5,11H2,1-3H3,(H,21,25)
InChIKeySAMHEPSUSVDBJC-UHFFFAOYSA-N
MW377.87 g/mol
LogP3.35
Rot. Bonds9

About N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-2-oxo-3-(propan-2-ylamino)hexanamide

N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-2-oxo-3-(propan-2-ylamino)hexanamide (PubChem CID 163952439) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-2-oxo-3-(propan-2-ylamino)hexanamide.

Molecular Properties

Compound NameN-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-2-oxo-3-(propan-2-ylamino)hexanamide
PubChem CID163952439
Molecular FormulaC19H24ClN3O3
Molecular Weight377.87 g/mol
Exact Mass377.15
IUPAC NameN-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-2-oxo-3-(propan-2-ylamino)hexanamide
SMILESCCCC(NC(C)C)C(=O)C(=O)NCc1cc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C19H24ClN3O3/c1-4-5-16(22-12(2)3)18(24)19(25)21-11-15-10-17(23-26-15)13-6-8-14(20)9-7-13/h6-10,12,16,22H,4-5,11H2,1-3H3,(H,21,25)
InChIKeySAMHEPSUSVDBJC-UHFFFAOYSA-N
XLogP3.35
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylcarbamoyl]-3-methylbutanoic acid
CID 167935125
2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-propylpropanamide
CID 134007751
methyl 2-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetate
CID 131857629
2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl-methylamino]propanoic acid
CID 75384716
(1S,3S,4S)-3-amino-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-hydroxycyclopentane-1-carboxamide
CID 154815849
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetamide
CID 112503051
[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 4-(propan-2-ylsulfamoyl)benzoate
CID 46803049
2-[3-(4-propan-2-ylphenyl)-1,2-oxazol-5-yl]acetic acid
CID 82294611
N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-2-[(prop-2-enoylamino)methyl]benzamide
CID 166422279
3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,2-oxazole
CID 118321395
2-(diethylamino)-N-[[3-(4-iodophenyl)-1,2-oxazol-5-yl]methyl]acetamide
CID 51039200
(2R)-2-amino-3-(4-chlorophenyl)-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide;hydrochloride
CID 154895539

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-2-oxo-3-(propan-2-ylamino)hexanamide?
The IUPAC name of N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-2-oxo-3-(propan-2-ylamino)hexanamide (CID 163952439) is N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-2-oxo-3-(propan-2-ylamino)hexanamide.
What is the SMILES notation for N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-2-oxo-3-(propan-2-ylamino)hexanamide?
The canonical SMILES for N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-2-oxo-3-(propan-2-ylamino)hexanamide is CCCC(NC(C)C)C(=O)C(=O)NCc1cc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-2-oxo-3-(propan-2-ylamino)hexanamide?
The InChIKey is SAMHEPSUSVDBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3/c1-4-5-16(22-12(2)3)18(24)19(25)21-11-15-10-17(23-26-15)13-6-8-14(20)9-7-13/h6-10,12,16,22H,4-5,11H2,1-3H3,(H,21,25).
What are the key properties of N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-2-oxo-3-(propan-2-ylamino)hexanamide?
N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-2-oxo-3-(propan-2-ylamino)hexanamide has a molecular weight of 377.87 g/mol, XLogP of 3.35, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-2-oxo-3-(propan-2-ylamino)hexanamide is sourced from PubChem (CID 163952439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).