N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C19H16N4O3S — CID 3241509

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCc1c(NC(=O)c2cc(-c3cccs3)on2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C19H16N4O3S/c1-12-17(19(25)23(22(12)2)13-7-4-3-5-8-13)20-18(24)14-11-15(26-21-14)16-9-6-10-27-16/h3-11H,1-2H3,(H,20,24)
InChIKeyULUVWMKAELLSHA-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.45
Rot. Bonds4

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 3241509) has the molecular formula C19H16N4O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID3241509
Molecular FormulaC19H16N4O3S
Molecular Weight380.43 g/mol
Exact Mass380.09
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCc1c(NC(=O)c2cc(-c3cccs3)on2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C19H16N4O3S/c1-12-17(19(25)23(22(12)2)13-7-4-3-5-8-13)20-18(24)14-11-15(26-21-14)16-9-6-10-27-16/h3-11H,1-2H3,(H,20,24)
InChIKeyULUVWMKAELLSHA-UHFFFAOYSA-N
XLogP3.45
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 3241509) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is Cc1c(NC(=O)c2cc(-c3cccs3)on2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is ULUVWMKAELLSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S/c1-12-17(19(25)23(22(12)2)13-7-4-3-5-8-13)20-18(24)14-11-15(26-21-14)16-9-6-10-27-16/h3-11H,1-2H3,(H,20,24).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 380.43 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3241509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).