5-tert-butyl-3-[4-(3-methoxy-1,2-oxazol-5-yl)-4-methylpentyl]-1,2-oxazole

C17H26N2O3 — CID 126684504

IUPAC5-tert-butyl-3-[4-(3-methoxy-1,2-oxazol-5-yl)-4-methylpentyl]-1,2-oxazole
SMILESCOc1cc(C(C)(C)CCCc2cc(C(C)(C)C)on2)on1
InChIInChI=1S/C17H26N2O3/c1-16(2,3)13-10-12(18-21-13)8-7-9-17(4,5)14-11-15(20-6)19-22-14/h10-11H,7-9H2,1-6H3
InChIKeyDXSFNKFUSAGHMD-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.27
Rot. Bonds6

About 5-tert-butyl-3-[4-(3-methoxy-1,2-oxazol-5-yl)-4-methylpentyl]-1,2-oxazole

5-tert-butyl-3-[4-(3-methoxy-1,2-oxazol-5-yl)-4-methylpentyl]-1,2-oxazole (PubChem CID 126684504) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 5-tert-butyl-3-[4-(3-methoxy-1,2-oxazol-5-yl)-4-methylpentyl]-1,2-oxazole.

Molecular Properties

Compound Name5-tert-butyl-3-[4-(3-methoxy-1,2-oxazol-5-yl)-4-methylpentyl]-1,2-oxazole
PubChem CID126684504
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name5-tert-butyl-3-[4-(3-methoxy-1,2-oxazol-5-yl)-4-methylpentyl]-1,2-oxazole
SMILESCOc1cc(C(C)(C)CCCc2cc(C(C)(C)C)on2)on1
InChIInChI=1S/C17H26N2O3/c1-16(2,3)13-10-12(18-21-13)8-7-9-17(4,5)14-11-15(20-6)19-22-14/h10-11H,7-9H2,1-6H3
InChIKeyDXSFNKFUSAGHMD-UHFFFAOYSA-N
XLogP4.27
TPSA61.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-tert-butyl-3-[4-(3-methoxy-1,2-oxazol-5-yl)-4-methylpentyl]-1,2-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 5-tert-butyl-3-[4-(3-methoxy-1,2-oxazol-5-yl)-4-methylpentyl]-1,2-oxazole?
The IUPAC name of 5-tert-butyl-3-[4-(3-methoxy-1,2-oxazol-5-yl)-4-methylpentyl]-1,2-oxazole (CID 126684504) is 5-tert-butyl-3-[4-(3-methoxy-1,2-oxazol-5-yl)-4-methylpentyl]-1,2-oxazole.
What is the SMILES notation for 5-tert-butyl-3-[4-(3-methoxy-1,2-oxazol-5-yl)-4-methylpentyl]-1,2-oxazole?
The canonical SMILES for 5-tert-butyl-3-[4-(3-methoxy-1,2-oxazol-5-yl)-4-methylpentyl]-1,2-oxazole is COc1cc(C(C)(C)CCCc2cc(C(C)(C)C)on2)on1.
What is the InChIKey of 5-tert-butyl-3-[4-(3-methoxy-1,2-oxazol-5-yl)-4-methylpentyl]-1,2-oxazole?
The InChIKey is DXSFNKFUSAGHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-16(2,3)13-10-12(18-21-13)8-7-9-17(4,5)14-11-15(20-6)19-22-14/h10-11H,7-9H2,1-6H3.
What are the key properties of 5-tert-butyl-3-[4-(3-methoxy-1,2-oxazol-5-yl)-4-methylpentyl]-1,2-oxazole?
5-tert-butyl-3-[4-(3-methoxy-1,2-oxazol-5-yl)-4-methylpentyl]-1,2-oxazole has a molecular weight of 306.41 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-[4-(3-methoxy-1,2-oxazol-5-yl)-4-methylpentyl]-1,2-oxazole is sourced from PubChem (CID 126684504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).