3-(5-chlorothiophen-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide

C18H14ClN3O2S2 — CID 60529744

IUPAC3-(5-chlorothiophen-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1csc(N(C(=O)C2CC(c3ccc(Cl)s3)=NO2)c2ccccc2)n1
InChIInChI=1S/C18H14ClN3O2S2/c1-11-10-25-18(20-11)22(12-5-3-2-4-6-12)17(23)14-9-13(21-24-14)15-7-8-16(19)26-15/h2-8,10,14H,9H2,1H3
InChIKeyJWWZYVAOBXNFIK-UHFFFAOYSA-N
MW403.92 g/mol
LogP5.02
Rot. Bonds4

About 3-(5-chlorothiophen-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(5-chlorothiophen-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 60529744) has the molecular formula C18H14ClN3O2S2 and a molecular weight of 403.92 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID60529744
Molecular FormulaC18H14ClN3O2S2
Molecular Weight403.92 g/mol
Exact Mass403.02
IUPAC Name3-(5-chlorothiophen-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1csc(N(C(=O)C2CC(c3ccc(Cl)s3)=NO2)c2ccccc2)n1
InChIInChI=1S/C18H14ClN3O2S2/c1-11-10-25-18(20-11)22(12-5-3-2-4-6-12)17(23)14-9-13(21-24-14)15-7-8-16(19)26-15/h2-8,10,14H,9H2,1H3
InChIKeyJWWZYVAOBXNFIK-UHFFFAOYSA-N
XLogP5.02
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.92
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 60529744) is 3-(5-chlorothiophen-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide is Cc1csc(N(C(=O)C2CC(c3ccc(Cl)s3)=NO2)c2ccccc2)n1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is JWWZYVAOBXNFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2S2/c1-11-10-25-18(20-11)22(12-5-3-2-4-6-12)17(23)14-9-13(21-24-14)15-7-8-16(19)26-15/h2-8,10,14H,9H2,1H3.
What are the key properties of 3-(5-chlorothiophen-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(5-chlorothiophen-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 403.92 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 60529744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).