2-hexan-3-yl-4-(1-methylpyrrol-3-yl)-1,3-oxazole

C14H20N2O — CID 71012536

IUPAC2-hexan-3-yl-4-(1-methylpyrrol-3-yl)-1,3-oxazole
SMILESCCCC(CC)c1nc(-c2ccn(C)c2)co1
InChIInChI=1S/C14H20N2O/c1-4-6-11(5-2)14-15-13(10-17-14)12-7-8-16(3)9-12/h7-11H,4-6H2,1-3H3
InChIKeyNAIFHBANIOJCHA-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.97
Rot. Bonds5

About 2-hexan-3-yl-4-(1-methylpyrrol-3-yl)-1,3-oxazole

2-hexan-3-yl-4-(1-methylpyrrol-3-yl)-1,3-oxazole (PubChem CID 71012536) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-hexan-3-yl-4-(1-methylpyrrol-3-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-hexan-3-yl-4-(1-methylpyrrol-3-yl)-1,3-oxazole
PubChem CID71012536
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-hexan-3-yl-4-(1-methylpyrrol-3-yl)-1,3-oxazole
SMILESCCCC(CC)c1nc(-c2ccn(C)c2)co1
InChIInChI=1S/C14H20N2O/c1-4-6-11(5-2)14-15-13(10-17-14)12-7-8-16(3)9-12/h7-11H,4-6H2,1-3H3
InChIKeyNAIFHBANIOJCHA-UHFFFAOYSA-N
XLogP3.97
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-hexan-3-yl-4-(1-methylpyrrol-3-yl)-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hexan-3-yl-4-(1-methylpyrrol-3-yl)-1,3-oxazole?
The IUPAC name of 2-hexan-3-yl-4-(1-methylpyrrol-3-yl)-1,3-oxazole (CID 71012536) is 2-hexan-3-yl-4-(1-methylpyrrol-3-yl)-1,3-oxazole.
What is the SMILES notation for 2-hexan-3-yl-4-(1-methylpyrrol-3-yl)-1,3-oxazole?
The canonical SMILES for 2-hexan-3-yl-4-(1-methylpyrrol-3-yl)-1,3-oxazole is CCCC(CC)c1nc(-c2ccn(C)c2)co1.
What is the InChIKey of 2-hexan-3-yl-4-(1-methylpyrrol-3-yl)-1,3-oxazole?
The InChIKey is NAIFHBANIOJCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-4-6-11(5-2)14-15-13(10-17-14)12-7-8-16(3)9-12/h7-11H,4-6H2,1-3H3.
What are the key properties of 2-hexan-3-yl-4-(1-methylpyrrol-3-yl)-1,3-oxazole?
2-hexan-3-yl-4-(1-methylpyrrol-3-yl)-1,3-oxazole has a molecular weight of 232.33 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexan-3-yl-4-(1-methylpyrrol-3-yl)-1,3-oxazole is sourced from PubChem (CID 71012536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).