5-methyl-2-(4-methylphenyl)-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazol-3-amine

C22H22N4O — CID 56679135

IUPAC5-methyl-2-(4-methylphenyl)-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazol-3-amine
SMILESCc1ccc(-c2nc(CNc3cc(C)nn3-c3ccc(C)cc3)co2)cc1
InChIInChI=1S/C22H22N4O/c1-15-4-8-18(9-5-15)22-24-19(14-27-22)13-23-21-12-17(3)25-26(21)20-10-6-16(2)7-11-20/h4-12,14,23H,13H2,1-3H3
InChIKeyNFKIAOMGRQQZMK-UHFFFAOYSA-N
MW358.45 g/mol
LogP5.06
Rot. Bonds5

About 5-methyl-2-(4-methylphenyl)-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazol-3-amine

5-methyl-2-(4-methylphenyl)-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazol-3-amine (PubChem CID 56679135) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 5-methyl-2-(4-methylphenyl)-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-2-(4-methylphenyl)-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazol-3-amine
PubChem CID56679135
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name5-methyl-2-(4-methylphenyl)-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazol-3-amine
SMILESCc1ccc(-c2nc(CNc3cc(C)nn3-c3ccc(C)cc3)co2)cc1
InChIInChI=1S/C22H22N4O/c1-15-4-8-18(9-5-15)22-24-19(14-27-22)13-23-21-12-17(3)25-26(21)20-10-6-16(2)7-11-20/h4-12,14,23H,13H2,1-3H3
InChIKeyNFKIAOMGRQQZMK-UHFFFAOYSA-N
XLogP5.06
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.45
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-methylphenyl)-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazol-3-amine?
The IUPAC name of 5-methyl-2-(4-methylphenyl)-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazol-3-amine (CID 56679135) is 5-methyl-2-(4-methylphenyl)-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazol-3-amine.
What is the SMILES notation for 5-methyl-2-(4-methylphenyl)-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazol-3-amine?
The canonical SMILES for 5-methyl-2-(4-methylphenyl)-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazol-3-amine is Cc1ccc(-c2nc(CNc3cc(C)nn3-c3ccc(C)cc3)co2)cc1.
What is the InChIKey of 5-methyl-2-(4-methylphenyl)-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazol-3-amine?
The InChIKey is NFKIAOMGRQQZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-15-4-8-18(9-5-15)22-24-19(14-27-22)13-23-21-12-17(3)25-26(21)20-10-6-16(2)7-11-20/h4-12,14,23H,13H2,1-3H3.
What are the key properties of 5-methyl-2-(4-methylphenyl)-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazol-3-amine?
5-methyl-2-(4-methylphenyl)-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazol-3-amine has a molecular weight of 358.45 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-methylphenyl)-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazol-3-amine is sourced from PubChem (CID 56679135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).