N-(3-chloro-2,6-diethylphenyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide

C19H19ClN2O2S — CID 55755678

IUPACN-(3-chloro-2,6-diethylphenyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)c1nc(-c2cccs2)oc1C
InChIInChI=1S/C19H19ClN2O2S/c1-4-12-8-9-14(20)13(5-2)17(12)21-18(23)16-11(3)24-19(22-16)15-7-6-10-25-15/h6-10H,4-5H2,1-3H3,(H,21,23)
InChIKeyBMFSMDLSJTUPOE-UHFFFAOYSA-N
MW374.89 g/mol
LogP5.74
Rot. Bonds5

About N-(3-chloro-2,6-diethylphenyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide

N-(3-chloro-2,6-diethylphenyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 55755678) has the molecular formula C19H19ClN2O2S and a molecular weight of 374.89 g/mol. Its IUPAC name is N-(3-chloro-2,6-diethylphenyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2,6-diethylphenyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
PubChem CID55755678
Molecular FormulaC19H19ClN2O2S
Molecular Weight374.89 g/mol
Exact Mass374.09
IUPAC NameN-(3-chloro-2,6-diethylphenyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)c1nc(-c2cccs2)oc1C
InChIInChI=1S/C19H19ClN2O2S/c1-4-12-8-9-14(20)13(5-2)17(12)21-18(23)16-11(3)24-19(22-16)15-7-6-10-25-15/h6-10H,4-5H2,1-3H3,(H,21,23)
InChIKeyBMFSMDLSJTUPOE-UHFFFAOYSA-N
XLogP5.74
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.89
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-chloro-2,6-diethylphenyl)-5-methyl-2-thiophen-2-yl-1,3-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

N'-(4-ethylbenzoyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbohydrazide
CID 55704503
ethyl 2-[2-[(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 55719198
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 71938325
N-(3,4-dichlorophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31701072
N-[4-(2-amino-2-oxoethoxy)phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 55706690
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 55892303
N'-(4-ethoxybenzoyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbohydrazide
CID 55704486
5-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 55706816
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2,4,5-trichlorophenyl)acetamide
CID 24627985
5-methyl-2-thiophen-2-yl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-oxazole-4-carboxamide
CID 55711744
N-(4-chlorophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31780131
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 51947532

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2,6-diethylphenyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(3-chloro-2,6-diethylphenyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide (CID 55755678) is N-(3-chloro-2,6-diethylphenyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-chloro-2,6-diethylphenyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(3-chloro-2,6-diethylphenyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide is CCc1ccc(Cl)c(CC)c1NC(=O)c1nc(-c2cccs2)oc1C.
What is the InChIKey of N-(3-chloro-2,6-diethylphenyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is BMFSMDLSJTUPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2S/c1-4-12-8-9-14(20)13(5-2)17(12)21-18(23)16-11(3)24-19(22-16)15-7-6-10-25-15/h6-10H,4-5H2,1-3H3,(H,21,23).
What are the key properties of N-(3-chloro-2,6-diethylphenyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
N-(3-chloro-2,6-diethylphenyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 374.89 g/mol, XLogP of 5.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2,6-diethylphenyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 55755678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).