3-(2,6-dichlorophenyl)-N-heptan-2-yl-5-methyl-1,2-oxazole-4-carboxamide

C18H22Cl2N2O2 — CID 4618388

IUPAC3-(2,6-dichlorophenyl)-N-heptan-2-yl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCCCCC(C)NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C
InChIInChI=1S/C18H22Cl2N2O2/c1-4-5-6-8-11(2)21-18(23)15-12(3)24-22-17(15)16-13(19)9-7-10-14(16)20/h7,9-11H,4-6,8H2,1-3H3,(H,21,23)
InChIKeyFGIOTAKEHYOZJB-UHFFFAOYSA-N
MW369.29 g/mol
LogP5.66
Rot. Bonds7

About 3-(2,6-dichlorophenyl)-N-heptan-2-yl-5-methyl-1,2-oxazole-4-carboxamide

3-(2,6-dichlorophenyl)-N-heptan-2-yl-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 4618388) has the molecular formula C18H22Cl2N2O2 and a molecular weight of 369.29 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-N-heptan-2-yl-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-N-heptan-2-yl-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID4618388
Molecular FormulaC18H22Cl2N2O2
Molecular Weight369.29 g/mol
Exact Mass368.11
IUPAC Name3-(2,6-dichlorophenyl)-N-heptan-2-yl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCCCCC(C)NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C
InChIInChI=1S/C18H22Cl2N2O2/c1-4-5-6-8-11(2)21-18(23)15-12(3)24-22-17(15)16-13(19)9-7-10-14(16)20/h7,9-11H,4-6,8H2,1-3H3,(H,21,23)
InChIKeyFGIOTAKEHYOZJB-UHFFFAOYSA-N
XLogP5.66
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.29
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2,6-dichlorophenyl)-N-heptan-2-yl-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

Related Compounds

3-(2,6-dichlorophenyl)-5-methyl-N-pentan-2-yl-1,2-oxazole-4-carboxamide
CID 2886297
N-[(2R)-butan-2-yl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 714929
N-(1-aminohexan-2-yl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 119665884
3-(2,6-dichlorophenyl)-N-hexyl-5-methyl-1,2-oxazole-4-carboxamide
CID 3360708
N-[(2S)-1-aminopropan-2-yl]-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride
CID 120506272
3-(2,6-dichlorophenyl)-5-methyl-N-(3-methylbutyl)-1,2-oxazole-4-carboxamide
CID 718172
3-(2-chloro-6-fluorophenyl)-5-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-1,2-oxazole-4-carboxamide
CID 9227682
3-(2-chloro-6-fluorophenyl)-N-(2-ethylhexyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 4227262
7-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-2-methylheptanoic acid
CID 70157795
3-(2-chlorophenyl)-N-[(2S)-1-methoxypropan-2-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 884674
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 30822991
1-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3-pentylthiourea
CID 9187610

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-N-heptan-2-yl-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2,6-dichlorophenyl)-N-heptan-2-yl-5-methyl-1,2-oxazole-4-carboxamide (CID 4618388) is 3-(2,6-dichlorophenyl)-N-heptan-2-yl-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-N-heptan-2-yl-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2,6-dichlorophenyl)-N-heptan-2-yl-5-methyl-1,2-oxazole-4-carboxamide is CCCCCC(C)NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C.
What is the InChIKey of 3-(2,6-dichlorophenyl)-N-heptan-2-yl-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is FGIOTAKEHYOZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N2O2/c1-4-5-6-8-11(2)21-18(23)15-12(3)24-22-17(15)16-13(19)9-7-10-14(16)20/h7,9-11H,4-6,8H2,1-3H3,(H,21,23).
What are the key properties of 3-(2,6-dichlorophenyl)-N-heptan-2-yl-5-methyl-1,2-oxazole-4-carboxamide?
3-(2,6-dichlorophenyl)-N-heptan-2-yl-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 369.29 g/mol, XLogP of 5.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-N-heptan-2-yl-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 4618388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).