N-butan-2-yl-3-(3,5-dichloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide

C16H18Cl2N2O3 — CID 3335209

IUPACN-butan-2-yl-3-(3,5-dichloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCC(C)NC(=O)c1c(-c2cc(Cl)c(OC)c(Cl)c2)noc1C
InChIInChI=1S/C16H18Cl2N2O3/c1-5-8(2)19-16(21)13-9(3)23-20-14(13)10-6-11(17)15(22-4)12(18)7-10/h6-8H,5H2,1-4H3,(H,19,21)
InChIKeySBQZGUJLKHCUAP-UHFFFAOYSA-N
MW357.24 g/mol
LogP4.49
Rot. Bonds5

About N-butan-2-yl-3-(3,5-dichloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide

N-butan-2-yl-3-(3,5-dichloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 3335209) has the molecular formula C16H18Cl2N2O3 and a molecular weight of 357.24 g/mol. Its IUPAC name is N-butan-2-yl-3-(3,5-dichloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(3,5-dichloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID3335209
Molecular FormulaC16H18Cl2N2O3
Molecular Weight357.24 g/mol
Exact Mass356.07
IUPAC NameN-butan-2-yl-3-(3,5-dichloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCC(C)NC(=O)c1c(-c2cc(Cl)c(OC)c(Cl)c2)noc1C
InChIInChI=1S/C16H18Cl2N2O3/c1-5-8(2)19-16(21)13-9(3)23-20-14(13)10-6-11(17)15(22-4)12(18)7-10/h6-8H,5H2,1-4H3,(H,19,21)
InChIKeySBQZGUJLKHCUAP-UHFFFAOYSA-N
XLogP4.49
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-butan-2-yl-3-(3,5-dichloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(3,5-dichloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-butan-2-yl-3-(3,5-dichloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 3335209) is N-butan-2-yl-3-(3,5-dichloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-3-(3,5-dichloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-butan-2-yl-3-(3,5-dichloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide is CCC(C)NC(=O)c1c(-c2cc(Cl)c(OC)c(Cl)c2)noc1C.
What is the InChIKey of N-butan-2-yl-3-(3,5-dichloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is SBQZGUJLKHCUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O3/c1-5-8(2)19-16(21)13-9(3)23-20-14(13)10-6-11(17)15(22-4)12(18)7-10/h6-8H,5H2,1-4H3,(H,19,21).
What are the key properties of N-butan-2-yl-3-(3,5-dichloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
N-butan-2-yl-3-(3,5-dichloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 357.24 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(3,5-dichloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 3335209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).