N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide

C21H26N4O2 — CID 15988813

IUPACN-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccccc1Cn1nc(C)c(NC(=O)c2cc(CC(C)C)on2)c1C
InChIInChI=1S/C21H26N4O2/c1-13(2)10-18-11-19(24-27-18)21(26)22-20-15(4)23-25(16(20)5)12-17-9-7-6-8-14(17)3/h6-9,11,13H,10,12H2,1-5H3,(H,22,26)
InChIKeyZUGARXOLSGPQIJ-UHFFFAOYSA-N
MW366.47 g/mol
LogP4.30
Rot. Bonds6

About N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide

N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 15988813) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID15988813
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccccc1Cn1nc(C)c(NC(=O)c2cc(CC(C)C)on2)c1C
InChIInChI=1S/C21H26N4O2/c1-13(2)10-18-11-19(24-27-18)21(26)22-20-15(4)23-25(16(20)5)12-17-9-7-6-8-14(17)3/h6-9,11,13H,10,12H2,1-5H3,(H,22,26)
InChIKeyZUGARXOLSGPQIJ-UHFFFAOYSA-N
XLogP4.30
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide (CID 15988813) is N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide is Cc1ccccc1Cn1nc(C)c(NC(=O)c2cc(CC(C)C)on2)c1C.
What is the InChIKey of N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is ZUGARXOLSGPQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-13(2)10-18-11-19(24-27-18)21(26)22-20-15(4)23-25(16(20)5)12-17-9-7-6-8-14(17)3/h6-9,11,13H,10,12H2,1-5H3,(H,22,26).
What are the key properties of N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 15988813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).