5-[2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethyl]-N-propan-2-yl-1H-pyrazole-3-carboxamide

C19H22N4O2 — CID 91429326

IUPAC5-[2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethyl]-N-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCc1onc(-c2ccccc2)c1CCc1cc(C(=O)NC(C)C)n[nH]1
InChIInChI=1S/C19H22N4O2/c1-12(2)20-19(24)17-11-15(21-22-17)9-10-16-13(3)25-23-18(16)14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3,(H,20,24)(H,21,22)
InChIKeyXMJNERCXCLDBTD-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.30
Rot. Bonds6

About 5-[2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethyl]-N-propan-2-yl-1H-pyrazole-3-carboxamide

5-[2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethyl]-N-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 91429326) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 5-[2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethyl]-N-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethyl]-N-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID91429326
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name5-[2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethyl]-N-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCc1onc(-c2ccccc2)c1CCc1cc(C(=O)NC(C)C)n[nH]1
InChIInChI=1S/C19H22N4O2/c1-12(2)20-19(24)17-11-15(21-22-17)9-10-16-13(3)25-23-18(16)14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3,(H,20,24)(H,21,22)
InChIKeyXMJNERCXCLDBTD-UHFFFAOYSA-N
XLogP3.30
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethyl]-N-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethyl]-N-propan-2-yl-1H-pyrazole-3-carboxamide (CID 91429326) is 5-[2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethyl]-N-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethyl]-N-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethyl]-N-propan-2-yl-1H-pyrazole-3-carboxamide is Cc1onc(-c2ccccc2)c1CCc1cc(C(=O)NC(C)C)n[nH]1.
What is the InChIKey of 5-[2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethyl]-N-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is XMJNERCXCLDBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-12(2)20-19(24)17-11-15(21-22-17)9-10-16-13(3)25-23-18(16)14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3,(H,20,24)(H,21,22).
What are the key properties of 5-[2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethyl]-N-propan-2-yl-1H-pyrazole-3-carboxamide?
5-[2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethyl]-N-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethyl]-N-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 91429326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).