5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-propan-2-ylpyrazole-1-carboxamide

C17H18N4O2 — CID 2745595

IUPAC5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-propan-2-ylpyrazole-1-carboxamide
SMILESCc1onc(-c2ccccc2)c1-c1ccnn1C(=O)NC(C)C
InChIInChI=1S/C17H18N4O2/c1-11(2)19-17(22)21-14(9-10-18-21)15-12(3)23-20-16(15)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,19,22)
InChIKeyROPRAAOBBLEFNM-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.48
Rot. Bonds3

About 5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-propan-2-ylpyrazole-1-carboxamide

5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-propan-2-ylpyrazole-1-carboxamide (PubChem CID 2745595) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-propan-2-ylpyrazole-1-carboxamide.

Molecular Properties

Compound Name5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-propan-2-ylpyrazole-1-carboxamide
PubChem CID2745595
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-propan-2-ylpyrazole-1-carboxamide
SMILESCc1onc(-c2ccccc2)c1-c1ccnn1C(=O)NC(C)C
InChIInChI=1S/C17H18N4O2/c1-11(2)19-17(22)21-14(9-10-18-21)15-12(3)23-20-16(15)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,19,22)
InChIKeyROPRAAOBBLEFNM-UHFFFAOYSA-N
XLogP3.48
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-propan-2-ylpyrazole-1-carboxamide?
The IUPAC name of 5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-propan-2-ylpyrazole-1-carboxamide (CID 2745595) is 5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-propan-2-ylpyrazole-1-carboxamide.
What is the SMILES notation for 5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-propan-2-ylpyrazole-1-carboxamide?
The canonical SMILES for 5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-propan-2-ylpyrazole-1-carboxamide is Cc1onc(-c2ccccc2)c1-c1ccnn1C(=O)NC(C)C.
What is the InChIKey of 5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-propan-2-ylpyrazole-1-carboxamide?
The InChIKey is ROPRAAOBBLEFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-11(2)19-17(22)21-14(9-10-18-21)15-12(3)23-20-16(15)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,19,22).
What are the key properties of 5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-propan-2-ylpyrazole-1-carboxamide?
5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-propan-2-ylpyrazole-1-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-propan-2-ylpyrazole-1-carboxamide is sourced from PubChem (CID 2745595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).