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

C11H8ClN3O2S2 — CID 47061544

IUPAC3-(5-chlorothiophen-2-yl)-N-(1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1nccs1)C1CC(c2ccc(Cl)s2)=NO1
InChIInChI=1S/C11H8ClN3O2S2/c12-9-2-1-8(19-9)6-5-7(17-15-6)10(16)14-11-13-3-4-18-11/h1-4,7H,5H2,(H,13,14,16)
InChIKeyVTPJVHMZEDESHB-UHFFFAOYSA-N
MW313.79 g/mol
LogP2.99
Rot. Bonds3

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

3-(5-chlorothiophen-2-yl)-N-(1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 47061544) has the molecular formula C11H8ClN3O2S2 and a molecular weight of 313.79 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-N-(1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-N-(1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID47061544
Molecular FormulaC11H8ClN3O2S2
Molecular Weight313.79 g/mol
Exact Mass312.97
IUPAC Name3-(5-chlorothiophen-2-yl)-N-(1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1nccs1)C1CC(c2ccc(Cl)s2)=NO1
InChIInChI=1S/C11H8ClN3O2S2/c12-9-2-1-8(19-9)6-5-7(17-15-6)10(16)14-11-13-3-4-18-11/h1-4,7H,5H2,(H,13,14,16)
InChIKeyVTPJVHMZEDESHB-UHFFFAOYSA-N
XLogP2.99
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5-chlorothiophen-2-yl)-N-methyl-N-(1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 47062373
3-(5-chlorothiophen-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 47299862
3-(5-chlorothiophen-2-yl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 53528861
3-(5-chlorothiophen-2-yl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 55870824
1-[3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 55872981
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 55875000
3-(5-chlorothiophen-2-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 75416088
3-(2-chlorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide
CID 91945897
(5S)-3-(5-chlorothiophen-2-yl)-N-(1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 94191506
(5R)-3-(5-chlorothiophen-2-yl)-N-(1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 94191507
(5S)-3-(5-chlorothiophen-2-yl)-N-methyl-N-(1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 94192151
(5R)-3-(5-chlorothiophen-2-yl)-N-methyl-N-(1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 94192152

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-N-(1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-N-(1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 47061544) is 3-(5-chlorothiophen-2-yl)-N-(1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-N-(1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-N-(1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(Nc1nccs1)C1CC(c2ccc(Cl)s2)=NO1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-N-(1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is VTPJVHMZEDESHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O2S2/c12-9-2-1-8(19-9)6-5-7(17-15-6)10(16)14-11-13-3-4-18-11/h1-4,7H,5H2,(H,13,14,16).
What are the key properties of 3-(5-chlorothiophen-2-yl)-N-(1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(5-chlorothiophen-2-yl)-N-(1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 313.79 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-N-(1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 47061544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).