N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide

C15H13ClN4O2S — CID 176585441

IUPACN-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2nnc(-c3ccccc3Cl)s2)on1
InChIInChI=1S/C15H13ClN4O2S/c1-8(2)11-7-12(22-20-11)13(21)17-15-19-18-14(23-15)9-5-3-4-6-10(9)16/h3-8H,1-2H3,(H,17,19,21)
InChIKeyJREBNJNEHVDMDS-UHFFFAOYSA-N
MW348.82 g/mol
LogP4.22
Rot. Bonds4

About N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide

N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide (PubChem CID 176585441) has the molecular formula C15H13ClN4O2S and a molecular weight of 348.82 g/mol. Its IUPAC name is N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
PubChem CID176585441
Molecular FormulaC15H13ClN4O2S
Molecular Weight348.82 g/mol
Exact Mass348.04
IUPAC NameN-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2nnc(-c3ccccc3Cl)s2)on1
InChIInChI=1S/C15H13ClN4O2S/c1-8(2)11-7-12(22-20-11)13(21)17-15-19-18-14(23-15)9-5-3-4-6-10(9)16/h3-8H,1-2H3,(H,17,19,21)
InChIKeyJREBNJNEHVDMDS-UHFFFAOYSA-N
XLogP4.22
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.82
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 176585430
3-amino-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 119745140
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2,2,2-trifluoroacetamide
CID 19256591
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3,4-dimethoxybenzamide
CID 1398313
5,6-dichloro-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 60576166
(2S)-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylpropanamide
CID 7121076
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methyl-1,3-thiazole-5-carboxamide
CID 122134190
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1H-1,2,4-triazole-5-carboxamide
CID 176585431
2,2,2-tribromo-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 19256598
2-chloro-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide
CID 60576133
(2S)-2-amino-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3,3-dimethylbutanamide
CID 119745126
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3,4,5-triethoxybenzamide
CID 1409785

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide (CID 176585441) is N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide is CC(C)c1cc(C(=O)Nc2nnc(-c3ccccc3Cl)s2)on1.
What is the InChIKey of N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The InChIKey is JREBNJNEHVDMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O2S/c1-8(2)11-7-12(22-20-11)13(21)17-15-19-18-14(23-15)9-5-3-4-6-10(9)16/h3-8H,1-2H3,(H,17,19,21).
What are the key properties of N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide has a molecular weight of 348.82 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 176585441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).