N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1,2-oxazole-5-carboxamide

C16H12FN5O2S — CID 30462485

IUPACN-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1,2-oxazole-5-carboxamide
SMILESO=C(c1ccno1)N(CCn1cccn1)c1nc2c(F)cccc2s1
InChIInChI=1S/C16H12FN5O2S/c17-11-3-1-4-13-14(11)20-16(25-13)22(10-9-21-8-2-6-18-21)15(23)12-5-7-19-24-12/h1-8H,9-10H2
InChIKeyXAHGBZLXXDCZQP-UHFFFAOYSA-N
MW357.37 g/mol
LogP2.97
Rot. Bonds5

About N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1,2-oxazole-5-carboxamide

N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1,2-oxazole-5-carboxamide (PubChem CID 30462485) has the molecular formula C16H12FN5O2S and a molecular weight of 357.37 g/mol. Its IUPAC name is N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1,2-oxazole-5-carboxamide
PubChem CID30462485
Molecular FormulaC16H12FN5O2S
Molecular Weight357.37 g/mol
Exact Mass357.07
IUPAC NameN-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1,2-oxazole-5-carboxamide
SMILESO=C(c1ccno1)N(CCn1cccn1)c1nc2c(F)cccc2s1
InChIInChI=1S/C16H12FN5O2S/c17-11-3-1-4-13-14(11)20-16(25-13)22(10-9-21-8-2-6-18-21)15(23)12-5-7-19-24-12/h1-8H,9-10H2
InChIKeyXAHGBZLXXDCZQP-UHFFFAOYSA-N
XLogP2.97
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-bromo-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide
CID 30462527
N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)butanamide
CID 30462581
3-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide
CID 30462519
N-(4-fluoro-1,3-benzothiazol-2-yl)-3,5-dinitro-N-(2-pyrazol-1-ylethyl)benzamide
CID 30462589
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)-N-(2-pyrazol-1-ylethyl)acetamide
CID 30462662
4-butoxy-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)benzamide
CID 30462535
N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1,3-benzothiazole-6-carboxamide
CID 30462427
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(2-pyrazol-1-ylethyl)acetamide
CID 30462429
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)-N-(2-pyrazol-1-ylethyl)acetamide
CID 30462508
N-(4-fluoro-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanyl-N-(2-pyrazol-1-ylethyl)propanamide
CID 30462605
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)furan-2-carboxamide
CID 30461427
N-(4-chloro-1,3-benzothiazol-2-yl)-4-methylsulfanyl-N-(2-pyrazol-1-ylethyl)benzamide
CID 30460617

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1,2-oxazole-5-carboxamide (CID 30462485) is N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1,2-oxazole-5-carboxamide is O=C(c1ccno1)N(CCn1cccn1)c1nc2c(F)cccc2s1.
What is the InChIKey of N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1,2-oxazole-5-carboxamide?
The InChIKey is XAHGBZLXXDCZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5O2S/c17-11-3-1-4-13-14(11)20-16(25-13)22(10-9-21-8-2-6-18-21)15(23)12-5-7-19-24-12/h1-8H,9-10H2.
What are the key properties of N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1,2-oxazole-5-carboxamide?
N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1,2-oxazole-5-carboxamide has a molecular weight of 357.37 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 30462485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).