5-methyl-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]-3-phenyl-1,2-oxazole-4-carboxamide

C20H19N5O2S — CID 3820721

IUPAC5-methyl-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1ncsc1CCn1cc(NC(=O)c2c(-c3ccccc3)noc2C)cn1
InChIInChI=1S/C20H19N5O2S/c1-13-17(28-12-21-13)8-9-25-11-16(10-22-25)23-20(26)18-14(2)27-24-19(18)15-6-4-3-5-7-15/h3-7,10-12H,8-9H2,1-2H3,(H,23,26)
InChIKeyYZAHTRRSXSNJHP-UHFFFAOYSA-N
MW393.47 g/mol
LogP4.11
Rot. Bonds6

About 5-methyl-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]-3-phenyl-1,2-oxazole-4-carboxamide

5-methyl-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 3820721) has the molecular formula C20H19N5O2S and a molecular weight of 393.47 g/mol. Its IUPAC name is 5-methyl-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID3820721
Molecular FormulaC20H19N5O2S
Molecular Weight393.47 g/mol
Exact Mass393.13
IUPAC Name5-methyl-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1ncsc1CCn1cc(NC(=O)c2c(-c3ccccc3)noc2C)cn1
InChIInChI=1S/C20H19N5O2S/c1-13-17(28-12-21-13)8-9-25-11-16(10-22-25)23-20(26)18-14(2)27-24-19(18)15-6-4-3-5-7-15/h3-7,10-12H,8-9H2,1-2H3,(H,23,26)
InChIKeyYZAHTRRSXSNJHP-UHFFFAOYSA-N
XLogP4.11
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]-3-phenyl-1,2-oxazole-4-carboxamide (CID 3820721) is 5-methyl-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]-3-phenyl-1,2-oxazole-4-carboxamide is Cc1ncsc1CCn1cc(NC(=O)c2c(-c3ccccc3)noc2C)cn1.
What is the InChIKey of 5-methyl-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is YZAHTRRSXSNJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S/c1-13-17(28-12-21-13)8-9-25-11-16(10-22-25)23-20(26)18-14(2)27-24-19(18)15-6-4-3-5-7-15/h3-7,10-12H,8-9H2,1-2H3,(H,23,26).
What are the key properties of 5-methyl-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]-3-phenyl-1,2-oxazole-4-carboxamide?
5-methyl-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 3820721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).