N-(5-chloro-1,3-benzothiazol-2-yl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide

C18H12ClN3O3S — CID 46963664

IUPACN-(5-chloro-1,3-benzothiazol-2-yl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)Nc2nc3cc(Cl)ccc3s2)no1
InChIInChI=1S/C18H12ClN3O3S/c1-24-14-5-3-2-4-11(14)15-9-13(22-25-15)17(23)21-18-20-12-8-10(19)6-7-16(12)26-18/h2-9H,1H3,(H,20,21,23)
InChIKeyOWKHHRHRHQOBHZ-UHFFFAOYSA-N
MW385.83 g/mol
LogP4.87
Rot. Bonds4

About N-(5-chloro-1,3-benzothiazol-2-yl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide

N-(5-chloro-1,3-benzothiazol-2-yl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 46963664) has the molecular formula C18H12ClN3O3S and a molecular weight of 385.83 g/mol. Its IUPAC name is N-(5-chloro-1,3-benzothiazol-2-yl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-1,3-benzothiazol-2-yl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID46963664
Molecular FormulaC18H12ClN3O3S
Molecular Weight385.83 g/mol
Exact Mass385.03
IUPAC NameN-(5-chloro-1,3-benzothiazol-2-yl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)Nc2nc3cc(Cl)ccc3s2)no1
InChIInChI=1S/C18H12ClN3O3S/c1-24-14-5-3-2-4-11(14)15-9-13(22-25-15)17(23)21-18-20-12-8-10(19)6-7-16(12)26-18/h2-9H,1H3,(H,20,21,23)
InChIKeyOWKHHRHRHQOBHZ-UHFFFAOYSA-N
XLogP4.87
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.83
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-methoxyphenyl)-N-[3-(phenylcarbamoylamino)phenyl]-1,2-oxazole-3-carboxamide
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5-(2-methoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 37342704
N-(2-bromo-4,6-difluorophenyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
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5-(2-methoxyphenyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-1,2-oxazole-3-carboxamide
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5-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,2-oxazole-3-carboxamide
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CID 118296936
N-[(2S)-2-[(5-chloro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-2,6-dimethoxybenzamide
CID 154003583
5-(4-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117386909
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1,3-benzothiazol-2-yl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(5-chloro-1,3-benzothiazol-2-yl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide (CID 46963664) is N-(5-chloro-1,3-benzothiazol-2-yl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(5-chloro-1,3-benzothiazol-2-yl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(5-chloro-1,3-benzothiazol-2-yl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide is COc1ccccc1-c1cc(C(=O)Nc2nc3cc(Cl)ccc3s2)no1.
What is the InChIKey of N-(5-chloro-1,3-benzothiazol-2-yl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is OWKHHRHRHQOBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O3S/c1-24-14-5-3-2-4-11(14)15-9-13(22-25-15)17(23)21-18-20-12-8-10(19)6-7-16(12)26-18/h2-9H,1H3,(H,20,21,23).
What are the key properties of N-(5-chloro-1,3-benzothiazol-2-yl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide?
N-(5-chloro-1,3-benzothiazol-2-yl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 385.83 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1,3-benzothiazol-2-yl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46963664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).