N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C18H16F2N2O4S — CID 60618527

IUPACN-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(-c3cccs3)on2)cc1OC(F)F
InChIInChI=1S/C18H16F2N2O4S/c1-24-13-5-4-11(9-14(13)25-18(19)20)6-7-21-17(23)12-10-15(26-22-12)16-3-2-8-27-16/h2-5,8-10,18H,6-7H2,1H3,(H,21,23)
InChIKeyKRBHWQFWBFCYJN-UHFFFAOYSA-N
MW394.40 g/mol
LogP3.99
Rot. Bonds8

About N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 60618527) has the molecular formula C18H16F2N2O4S and a molecular weight of 394.40 g/mol. Its IUPAC name is N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID60618527
Molecular FormulaC18H16F2N2O4S
Molecular Weight394.40 g/mol
Exact Mass394.08
IUPAC NameN-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(-c3cccs3)on2)cc1OC(F)F
InChIInChI=1S/C18H16F2N2O4S/c1-24-13-5-4-11(9-14(13)25-18(19)20)6-7-21-17(23)12-10-15(26-22-12)16-3-2-8-27-16/h2-5,8-10,18H,6-7H2,1H3,(H,21,23)
InChIKeyKRBHWQFWBFCYJN-UHFFFAOYSA-N
XLogP3.99
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-5-thiophen-2-yl-1,2-oxazole-3-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-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 15998422
5-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 1093872
5-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 15994186
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-5-thiophen-2-ylpyrazole-3-carboxamide
CID 42878892
4-(difluoromethoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxybenzamide
CID 9246064
N-[2-(4-sulfamoylphenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 18272294
N-[(2-methoxyphenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 51305038
N-[2-(2-fluorophenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 33195789
[2-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-2-oxoethyl] thiophene-2-carboxylate
CID 9199439
N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-5-fluoro-2-methylbenzamide
CID 60618472
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 785974
1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-ethyl-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111349839

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 60618527) is N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is COc1ccc(CCNC(=O)c2cc(-c3cccs3)on2)cc1OC(F)F.
What is the InChIKey of N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is KRBHWQFWBFCYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O4S/c1-24-13-5-4-11(9-14(13)25-18(19)20)6-7-21-17(23)12-10-15(26-22-12)16-3-2-8-27-16/h2-5,8-10,18H,6-7H2,1H3,(H,21,23).
What are the key properties of N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 394.40 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 60618527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).