3-(2-chlorophenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide

C24H16ClFN4O2S — CID 43986338

IUPAC3-(2-chlorophenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)N(Cc1ccccn1)c1nc2c(F)cccc2s1
InChIInChI=1S/C24H16ClFN4O2S/c1-14-20(21(29-32-14)16-8-2-3-9-17(16)25)23(31)30(13-15-7-4-5-12-27-15)24-28-22-18(26)10-6-11-19(22)33-24/h2-12H,13H2,1H3
InChIKeyVJUBEGXFXAPZTI-UHFFFAOYSA-N
MW478.94 g/mol
LogP6.29
Rot. Bonds5

About 3-(2-chlorophenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide (PubChem CID 43986338) has the molecular formula C24H16ClFN4O2S and a molecular weight of 478.94 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide
PubChem CID43986338
Molecular FormulaC24H16ClFN4O2S
Molecular Weight478.94 g/mol
Exact Mass478.07
IUPAC Name3-(2-chlorophenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)N(Cc1ccccn1)c1nc2c(F)cccc2s1
InChIInChI=1S/C24H16ClFN4O2S/c1-14-20(21(29-32-14)16-8-2-3-9-17(16)25)23(31)30(13-15-7-4-5-12-27-15)24-28-22-18(26)10-6-11-19(22)33-24/h2-12H,13H2,1H3
InChIKeyVJUBEGXFXAPZTI-UHFFFAOYSA-N
XLogP6.29
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.94
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dichloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 43987335
N-(4-chloro-1,3-benzothiazol-2-yl)-3-(2-chlorophenyl)-N-[3-(dimethylamino)propyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 43964616
N-(4-chloro-1,3-benzothiazol-2-yl)-3,4-difluoro-N-(pyridin-2-ylmethyl)benzamide
CID 43986002
N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)naphthalene-2-carboxamide
CID 40699731
N-(4-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)benzamide
CID 40519204
N-(4-chloro-1,3-benzothiazol-2-yl)-3-(2-chlorophenyl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide
CID 30702414
N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)cyclobutanecarboxamide
CID 43987334
N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1,3-benzothiazole-2-carboxamide
CID 41055560
2,4-difluoro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 43986390
5-bromo-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 18582036
3-ethylsulfonyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 41047454
N-(4-fluoro-1,3-benzothiazol-2-yl)-2,3-dimethoxy-N-(pyridin-2-ylmethyl)benzamide
CID 18582045

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide (CID 43986338) is 3-(2-chlorophenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)N(Cc1ccccn1)c1nc2c(F)cccc2s1.
What is the InChIKey of 3-(2-chlorophenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is VJUBEGXFXAPZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClFN4O2S/c1-14-20(21(29-32-14)16-8-2-3-9-17(16)25)23(31)30(13-15-7-4-5-12-27-15)24-28-22-18(26)10-6-11-19(22)33-24/h2-12H,13H2,1H3.
What are the key properties of 3-(2-chlorophenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 478.94 g/mol, XLogP of 6.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 43986338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).