2-(2-methylpentan-3-yl)-1,3-oxazole

Name: 2-(2-methylpentan-3-yl)-1,3-oxazole — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₉H₁₅NO — CID 170118865

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-(2-methylpentan-3-yl)-1,3-oxazole

SMILESCCC(c1ncco1)C(C)C

InChIInChI=1S/C9H15NO/c1-4-8(7(2)3)9-10-5-6-11-9/h5-8H,4H2,1-3H3

InChIKeyLWQLYBMYDJDEEH-UHFFFAOYSA-N

MW153.23 g/mol

LogP2.82

Rot. Bonds3

About 2-(2-methylpentan-3-yl)-1,3-oxazole

2-(2-methylpentan-3-yl)-1,3-oxazole (PubChem CID 170118865) has the molecular formula C₉H₁₅NO and a molecular weight of 153.23 g/mol. Its IUPAC name is 2-(2-methylpentan-3-yl)-1,3-oxazole.

Molecular Properties

Compound Name	2-(2-methylpentan-3-yl)-1,3-oxazole
PubChem CID	170118865
Molecular Formula	C₉H₁₅NO
Molecular Weight	153.23 g/mol
Exact Mass	153.12
IUPAC Name	2-(2-methylpentan-3-yl)-1,3-oxazole
SMILES	CCC(c1ncco1)C(C)C
InChI	InChI=1S/C9H15NO/c1-4-8(7(2)3)9-10-5-6-11-9/h5-8H,4H2,1-3H3
InChIKey	LWQLYBMYDJDEEH-UHFFFAOYSA-N
XLogP	2.82
TPSA	26.03 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds	3
Heavy Atoms	11
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	153.23
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpentan-3-yl)-1,3-oxazole?

The IUPAC name of 2-(2-methylpentan-3-yl)-1,3-oxazole (CID 170118865) is 2-(2-methylpentan-3-yl)-1,3-oxazole.

What is the SMILES notation for 2-(2-methylpentan-3-yl)-1,3-oxazole?

The canonical SMILES for 2-(2-methylpentan-3-yl)-1,3-oxazole is CCC(c1ncco1)C(C)C.

What is the InChIKey of 2-(2-methylpentan-3-yl)-1,3-oxazole?

The InChIKey is LWQLYBMYDJDEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-8(7(2)3)9-10-5-6-11-9/h5-8H,4H2,1-3H3.

What are the key properties of 2-(2-methylpentan-3-yl)-1,3-oxazole?

2-(2-methylpentan-3-yl)-1,3-oxazole has a molecular weight of 153.23 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methylpentan-3-yl)-1,3-oxazole is sourced from PubChem (CID 170118865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 170118865 — identifiers, structure, computed properties (public domain)

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