2-(3-chloro-4-methylphenyl)-5-cyclopropyl-4-(5-methyl-2H-triazol-4-yl)-1,3-oxazole

C16H15ClN4O — CID 170147450

IUPAC2-(3-chloro-4-methylphenyl)-5-cyclopropyl-4-(5-methyl-2H-triazol-4-yl)-1,3-oxazole
SMILESCc1ccc(-c2nc(-c3n[nH]nc3C)c(C3CC3)o2)cc1Cl
InChIInChI=1S/C16H15ClN4O/c1-8-3-4-11(7-12(8)17)16-18-14(13-9(2)19-21-20-13)15(22-16)10-5-6-10/h3-4,7,10H,5-6H2,1-2H3,(H,19,20,21)
InChIKeyHUUIYLBYPGMWRE-UHFFFAOYSA-N
MW314.78 g/mol
LogP4.27
Rot. Bonds3

About 2-(3-chloro-4-methylphenyl)-5-cyclopropyl-4-(5-methyl-2H-triazol-4-yl)-1,3-oxazole

2-(3-chloro-4-methylphenyl)-5-cyclopropyl-4-(5-methyl-2H-triazol-4-yl)-1,3-oxazole (PubChem CID 170147450) has the molecular formula C16H15ClN4O and a molecular weight of 314.78 g/mol. Its IUPAC name is 2-(3-chloro-4-methylphenyl)-5-cyclopropyl-4-(5-methyl-2H-triazol-4-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-(3-chloro-4-methylphenyl)-5-cyclopropyl-4-(5-methyl-2H-triazol-4-yl)-1,3-oxazole
PubChem CID170147450
Molecular FormulaC16H15ClN4O
Molecular Weight314.78 g/mol
Exact Mass314.09
IUPAC Name2-(3-chloro-4-methylphenyl)-5-cyclopropyl-4-(5-methyl-2H-triazol-4-yl)-1,3-oxazole
SMILESCc1ccc(-c2nc(-c3n[nH]nc3C)c(C3CC3)o2)cc1Cl
InChIInChI=1S/C16H15ClN4O/c1-8-3-4-11(7-12(8)17)16-18-14(13-9(2)19-21-20-13)15(22-16)10-5-6-10/h3-4,7,10H,5-6H2,1-2H3,(H,19,20,21)
InChIKeyHUUIYLBYPGMWRE-UHFFFAOYSA-N
XLogP4.27
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.78
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylphenyl)-5-cyclopropyl-4-(5-methyl-2H-triazol-4-yl)-1,3-oxazole?
The IUPAC name of 2-(3-chloro-4-methylphenyl)-5-cyclopropyl-4-(5-methyl-2H-triazol-4-yl)-1,3-oxazole (CID 170147450) is 2-(3-chloro-4-methylphenyl)-5-cyclopropyl-4-(5-methyl-2H-triazol-4-yl)-1,3-oxazole.
What is the SMILES notation for 2-(3-chloro-4-methylphenyl)-5-cyclopropyl-4-(5-methyl-2H-triazol-4-yl)-1,3-oxazole?
The canonical SMILES for 2-(3-chloro-4-methylphenyl)-5-cyclopropyl-4-(5-methyl-2H-triazol-4-yl)-1,3-oxazole is Cc1ccc(-c2nc(-c3n[nH]nc3C)c(C3CC3)o2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methylphenyl)-5-cyclopropyl-4-(5-methyl-2H-triazol-4-yl)-1,3-oxazole?
The InChIKey is HUUIYLBYPGMWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O/c1-8-3-4-11(7-12(8)17)16-18-14(13-9(2)19-21-20-13)15(22-16)10-5-6-10/h3-4,7,10H,5-6H2,1-2H3,(H,19,20,21).
What are the key properties of 2-(3-chloro-4-methylphenyl)-5-cyclopropyl-4-(5-methyl-2H-triazol-4-yl)-1,3-oxazole?
2-(3-chloro-4-methylphenyl)-5-cyclopropyl-4-(5-methyl-2H-triazol-4-yl)-1,3-oxazole has a molecular weight of 314.78 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylphenyl)-5-cyclopropyl-4-(5-methyl-2H-triazol-4-yl)-1,3-oxazole is sourced from PubChem (CID 170147450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).