4-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-oxo-1,2-thiazole-5-carboxamide

C10H10ClN3O3S — CID 166263123

IUPAC4-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-oxo-1,2-thiazole-5-carboxamide
SMILESCc1nc(CNC(=O)c2s[nH]c(=O)c2Cl)oc1C
InChIInChI=1S/C10H10ClN3O3S/c1-4-5(2)17-6(13-4)3-12-10(16)8-7(11)9(15)14-18-8/h3H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyOOAKSQNMCUDAHX-UHFFFAOYSA-N
MW287.73 g/mol
LogP1.62
Rot. Bonds3

About 4-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-oxo-1,2-thiazole-5-carboxamide

4-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-oxo-1,2-thiazole-5-carboxamide (PubChem CID 166263123) has the molecular formula C10H10ClN3O3S and a molecular weight of 287.73 g/mol. Its IUPAC name is 4-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-oxo-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-oxo-1,2-thiazole-5-carboxamide
PubChem CID166263123
Molecular FormulaC10H10ClN3O3S
Molecular Weight287.73 g/mol
Exact Mass287.01
IUPAC Name4-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-oxo-1,2-thiazole-5-carboxamide
SMILESCc1nc(CNC(=O)c2s[nH]c(=O)c2Cl)oc1C
InChIInChI=1S/C10H10ClN3O3S/c1-4-5(2)17-6(13-4)3-12-10(16)8-7(11)9(15)14-18-8/h3H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyOOAKSQNMCUDAHX-UHFFFAOYSA-N
XLogP1.62
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.73
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-oxo-1,2-thiazole-5-carboxamide with MolForge

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Related Compounds

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylthiophene-2-carboxamide
CID 47344953
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,6-dihydroxybenzamide
CID 103890358
5-bromo-2-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
CID 113226313
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiophene-3-carboxamide
CID 47345026
7-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thieno[2,3-b]pyrazine-6-carboxamide
CID 106377815
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclopropanecarboxamide
CID 103623190
1-tert-butyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea
CID 103752681
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,6-dimethylpyridine-3-carboxamide
CID 47345240
3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methylindole-2-carboxamide
CID 86822495
2-amino-5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyridine-4-carboxamide
CID 106377371
ethyl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-oxoacetate
CID 106375940
2-cyano-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide
CID 104696925

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-oxo-1,2-thiazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-oxo-1,2-thiazole-5-carboxamide (CID 166263123) is 4-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-oxo-1,2-thiazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-oxo-1,2-thiazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-oxo-1,2-thiazole-5-carboxamide is Cc1nc(CNC(=O)c2s[nH]c(=O)c2Cl)oc1C.
What is the InChIKey of 4-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-oxo-1,2-thiazole-5-carboxamide?
The InChIKey is OOAKSQNMCUDAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O3S/c1-4-5(2)17-6(13-4)3-12-10(16)8-7(11)9(15)14-18-8/h3H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 4-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-oxo-1,2-thiazole-5-carboxamide?
4-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-oxo-1,2-thiazole-5-carboxamide has a molecular weight of 287.73 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-oxo-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 166263123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).