3-methoxy-1-methyl-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]pyrazole-4-carboxamide

C19H22N4O3 — CID 146150262

IUPAC3-methoxy-1-methyl-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]pyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NCC(C)(C)c1coc(-c2ccccc2)n1
InChIInChI=1S/C19H22N4O3/c1-19(2,12-20-16(24)14-10-23(3)22-18(14)25-4)15-11-26-17(21-15)13-8-6-5-7-9-13/h5-11H,12H2,1-4H3,(H,20,24)
InChIKeyGSAPUITWCFJLNS-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.79
Rot. Bonds6

About 3-methoxy-1-methyl-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]pyrazole-4-carboxamide

3-methoxy-1-methyl-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]pyrazole-4-carboxamide (PubChem CID 146150262) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-methoxy-1-methyl-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methoxy-1-methyl-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]pyrazole-4-carboxamide
PubChem CID146150262
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name3-methoxy-1-methyl-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]pyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NCC(C)(C)c1coc(-c2ccccc2)n1
InChIInChI=1S/C19H22N4O3/c1-19(2,12-20-16(24)14-10-23(3)22-18(14)25-4)15-11-26-17(21-15)13-8-6-5-7-9-13/h5-11H,12H2,1-4H3,(H,20,24)
InChIKeyGSAPUITWCFJLNS-UHFFFAOYSA-N
XLogP2.79
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methyl-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]pyrazole-4-carboxamide?
The IUPAC name of 3-methoxy-1-methyl-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]pyrazole-4-carboxamide (CID 146150262) is 3-methoxy-1-methyl-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-methoxy-1-methyl-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-methoxy-1-methyl-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]pyrazole-4-carboxamide is COc1nn(C)cc1C(=O)NCC(C)(C)c1coc(-c2ccccc2)n1.
What is the InChIKey of 3-methoxy-1-methyl-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]pyrazole-4-carboxamide?
The InChIKey is GSAPUITWCFJLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-19(2,12-20-16(24)14-10-23(3)22-18(14)25-4)15-11-26-17(21-15)13-8-6-5-7-9-13/h5-11H,12H2,1-4H3,(H,20,24).
What are the key properties of 3-methoxy-1-methyl-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]pyrazole-4-carboxamide?
3-methoxy-1-methyl-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]pyrazole-4-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methyl-N-[2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propyl]pyrazole-4-carboxamide is sourced from PubChem (CID 146150262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).