3-[4-cyclopropyl-5-[5-(2-methylpropyl)-1,2-oxazol-3-yl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide

C23H29N5O2 — CID 127031148

IUPAC3-[4-cyclopropyl-5-[5-(2-methylpropyl)-1,2-oxazol-3-yl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCc2nnc(-c3cc(CC(C)C)on3)n2C2CC2)c(C)c1
InChIInChI=1S/C23H29N5O2/c1-14(2)11-18-13-20(27-30-18)23-26-25-21(28(23)17-6-7-17)9-10-22(29)24-19-8-5-15(3)12-16(19)4/h5,8,12-14,17H,6-7,9-11H2,1-4H3,(H,24,29)
InChIKeyYQFIICDJTARFQZ-UHFFFAOYSA-N
MW407.52 g/mol
LogP4.65
Rot. Bonds8

About 3-[4-cyclopropyl-5-[5-(2-methylpropyl)-1,2-oxazol-3-yl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide

3-[4-cyclopropyl-5-[5-(2-methylpropyl)-1,2-oxazol-3-yl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide (PubChem CID 127031148) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 3-[4-cyclopropyl-5-[5-(2-methylpropyl)-1,2-oxazol-3-yl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-[4-cyclopropyl-5-[5-(2-methylpropyl)-1,2-oxazol-3-yl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide
PubChem CID127031148
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name3-[4-cyclopropyl-5-[5-(2-methylpropyl)-1,2-oxazol-3-yl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCc2nnc(-c3cc(CC(C)C)on3)n2C2CC2)c(C)c1
InChIInChI=1S/C23H29N5O2/c1-14(2)11-18-13-20(27-30-18)23-26-25-21(28(23)17-6-7-17)9-10-22(29)24-19-8-5-15(3)12-16(19)4/h5,8,12-14,17H,6-7,9-11H2,1-4H3,(H,24,29)
InChIKeyYQFIICDJTARFQZ-UHFFFAOYSA-N
XLogP4.65
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-cyclopropyl-5-[5-(2-methylpropyl)-1,2-oxazol-3-yl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide?
The IUPAC name of 3-[4-cyclopropyl-5-[5-(2-methylpropyl)-1,2-oxazol-3-yl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide (CID 127031148) is 3-[4-cyclopropyl-5-[5-(2-methylpropyl)-1,2-oxazol-3-yl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide.
What is the SMILES notation for 3-[4-cyclopropyl-5-[5-(2-methylpropyl)-1,2-oxazol-3-yl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide?
The canonical SMILES for 3-[4-cyclopropyl-5-[5-(2-methylpropyl)-1,2-oxazol-3-yl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide is Cc1ccc(NC(=O)CCc2nnc(-c3cc(CC(C)C)on3)n2C2CC2)c(C)c1.
What is the InChIKey of 3-[4-cyclopropyl-5-[5-(2-methylpropyl)-1,2-oxazol-3-yl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide?
The InChIKey is YQFIICDJTARFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-14(2)11-18-13-20(27-30-18)23-26-25-21(28(23)17-6-7-17)9-10-22(29)24-19-8-5-15(3)12-16(19)4/h5,8,12-14,17H,6-7,9-11H2,1-4H3,(H,24,29).
What are the key properties of 3-[4-cyclopropyl-5-[5-(2-methylpropyl)-1,2-oxazol-3-yl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide?
3-[4-cyclopropyl-5-[5-(2-methylpropyl)-1,2-oxazol-3-yl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide has a molecular weight of 407.52 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-cyclopropyl-5-[5-(2-methylpropyl)-1,2-oxazol-3-yl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide is sourced from PubChem (CID 127031148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).