N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C18H16N4O2S — CID 55853524

IUPACN-(2-propan-2-yl-1,3-benzoxazol-5-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1nc2cc(NC(=O)c3cc(-c4cccs4)[nH]n3)ccc2o1
InChIInChI=1S/C18H16N4O2S/c1-10(2)18-20-12-8-11(5-6-15(12)24-18)19-17(23)14-9-13(21-22-14)16-4-3-7-25-16/h3-10H,1-2H3,(H,19,23)(H,21,22)
InChIKeyFARSZPCZSYZVSQ-UHFFFAOYSA-N
MW352.42 g/mol
LogP4.66
Rot. Bonds4

About N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 55853524) has the molecular formula C18H16N4O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-propan-2-yl-1,3-benzoxazol-5-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID55853524
Molecular FormulaC18H16N4O2S
Molecular Weight352.42 g/mol
Exact Mass352.10
IUPAC NameN-(2-propan-2-yl-1,3-benzoxazol-5-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1nc2cc(NC(=O)c3cc(-c4cccs4)[nH]n3)ccc2o1
InChIInChI=1S/C18H16N4O2S/c1-10(2)18-20-12-8-11(5-6-15(12)24-18)19-17(23)14-9-13(21-22-14)16-4-3-7-25-16/h3-10H,1-2H3,(H,19,23)(H,21,22)
InChIKeyFARSZPCZSYZVSQ-UHFFFAOYSA-N
XLogP4.66
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(difluoromethylsulfanyl)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55746673
N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 119101290
3-acetamido-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46401870
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 121084039
5-bromo-3-methyl-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide
CID 60509237
5-(2-methoxyphenyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-1,2-oxazole-3-carboxamide
CID 47028094
N-(2-chloro-4-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55786539
3,5-dimethoxy-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46424516
N-(1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55792015
N-(4-fluoro-2-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55741810
N-(5-bromo-2-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55858520
N-(3-aminobutyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119494825

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 55853524) is N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is CC(C)c1nc2cc(NC(=O)c3cc(-c4cccs4)[nH]n3)ccc2o1.
What is the InChIKey of N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is FARSZPCZSYZVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S/c1-10(2)18-20-12-8-11(5-6-15(12)24-18)19-17(23)14-9-13(21-22-14)16-4-3-7-25-16/h3-10H,1-2H3,(H,19,23)(H,21,22).
What are the key properties of N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 352.42 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55853524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).