N-butyl-N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]-2-methylpropanamide

C17H21ClN2O2 — CID 12556920

IUPACN-butyl-N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]-2-methylpropanamide
SMILESCCCCN(C(=O)C(C)C)c1nc(-c2ccc(Cl)cc2)co1
InChIInChI=1S/C17H21ClN2O2/c1-4-5-10-20(16(21)12(2)3)17-19-15(11-22-17)13-6-8-14(18)9-7-13/h6-9,11-12H,4-5,10H2,1-3H3
InChIKeyKLYARDOEOYNXNI-UHFFFAOYSA-N
MW320.82 g/mol
LogP4.78
Rot. Bonds6

About N-butyl-N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]-2-methylpropanamide

N-butyl-N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]-2-methylpropanamide (PubChem CID 12556920) has the molecular formula C17H21ClN2O2 and a molecular weight of 320.82 g/mol. Its IUPAC name is N-butyl-N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-butyl-N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]-2-methylpropanamide
PubChem CID12556920
Molecular FormulaC17H21ClN2O2
Molecular Weight320.82 g/mol
Exact Mass320.13
IUPAC NameN-butyl-N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]-2-methylpropanamide
SMILESCCCCN(C(=O)C(C)C)c1nc(-c2ccc(Cl)cc2)co1
InChIInChI=1S/C17H21ClN2O2/c1-4-5-10-20(16(21)12(2)3)17-19-15(11-22-17)13-6-8-14(18)9-7-13/h6-9,11-12H,4-5,10H2,1-3H3
InChIKeyKLYARDOEOYNXNI-UHFFFAOYSA-N
XLogP4.78
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]-2-methylpropanamide?
The IUPAC name of N-butyl-N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]-2-methylpropanamide (CID 12556920) is N-butyl-N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-butyl-N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]-2-methylpropanamide?
The canonical SMILES for N-butyl-N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]-2-methylpropanamide is CCCCN(C(=O)C(C)C)c1nc(-c2ccc(Cl)cc2)co1.
What is the InChIKey of N-butyl-N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]-2-methylpropanamide?
The InChIKey is KLYARDOEOYNXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O2/c1-4-5-10-20(16(21)12(2)3)17-19-15(11-22-17)13-6-8-14(18)9-7-13/h6-9,11-12H,4-5,10H2,1-3H3.
What are the key properties of N-butyl-N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]-2-methylpropanamide?
N-butyl-N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]-2-methylpropanamide has a molecular weight of 320.82 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]-2-methylpropanamide is sourced from PubChem (CID 12556920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).