2-heptadecyl-4-methyl-4,5-dihydro-1,3-oxazole;4-methyl-2-pentadecyl-4,5-dihydro-1,3-oxazole

C40H78N2O2 — CID 70405269

IUPAC2-heptadecyl-4-methyl-4,5-dihydro-1,3-oxazole;4-methyl-2-pentadecyl-4,5-dihydro-1,3-oxazole
SMILESCCCCCCCCCCCCCCCC1=NC(C)CO1.CCCCCCCCCCCCCCCCCC1=NC(C)CO1
InChIInChI=1S/C21H41NO.C19H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22-20(2)19-23-21;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-20-18(2)17-21-19/h20H,3-19H2,1-2H3;18H,3-17H2,1-2H3
InChIKeyNWPCKNVHIYAKRQ-UHFFFAOYSA-N
MW619.08 g/mol
LogP13.35
Rot. Bonds30

About 2-heptadecyl-4-methyl-4,5-dihydro-1,3-oxazole;4-methyl-2-pentadecyl-4,5-dihydro-1,3-oxazole

2-heptadecyl-4-methyl-4,5-dihydro-1,3-oxazole;4-methyl-2-pentadecyl-4,5-dihydro-1,3-oxazole (PubChem CID 70405269) has the molecular formula C40H78N2O2 and a molecular weight of 619.08 g/mol. Its IUPAC name is 2-heptadecyl-4-methyl-4,5-dihydro-1,3-oxazole;4-methyl-2-pentadecyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-heptadecyl-4-methyl-4,5-dihydro-1,3-oxazole;4-methyl-2-pentadecyl-4,5-dihydro-1,3-oxazole
PubChem CID70405269
Molecular FormulaC40H78N2O2
Molecular Weight619.08 g/mol
Exact Mass618.61
IUPAC Name2-heptadecyl-4-methyl-4,5-dihydro-1,3-oxazole;4-methyl-2-pentadecyl-4,5-dihydro-1,3-oxazole
SMILESCCCCCCCCCCCCCCCC1=NC(C)CO1.CCCCCCCCCCCCCCCCCC1=NC(C)CO1
InChIInChI=1S/C21H41NO.C19H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22-20(2)19-23-21;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-20-18(2)17-21-19/h20H,3-19H2,1-2H3;18H,3-17H2,1-2H3
InChIKeyNWPCKNVHIYAKRQ-UHFFFAOYSA-N
XLogP13.35
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds30
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.08
LogP ≤ 513.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-heptadecyl-4-methyl-4,5-dihydro-1,3-oxazole;4-methyl-2-pentadecyl-4,5-dihydro-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

Related Compounds

4-ethyl-2-heptyl-4,5-dihydro-1,3-oxazole
CID 19844013
4-methyl-2-(2-methyldecan-2-yl)-4,5-dihydro-1,3-oxazole
CID 19825995
2-nonadecyl-4,5-dihydro-1,3-oxazole
CID 22999535
2-tetradecyl-4,5-dihydro-1,3-oxazole;2-tridecyl-4,5-dihydro-1,3-oxazole
CID 22999547
2-tetradecyl-5,6-dihydro-4H-1,3-oxazine
CID 169221826
2-decyl-5,6-dihydro-4H-1,3-oxazine
CID 169221818
2-docosyl-5,6-dihydro-4H-1,3-oxazine
CID 169221785
2-[4-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)butyl]-5-methyl-4,5-dihydro-1,3-oxazole
CID 57292642
2-methyl-6-undecyl-2,3,4,5-tetrahydropyridine
CID 15706651
4-ethyl-4-methyl-2-undecyl-5H-1,3-oxazole
CID 143317146
2-hexyl-6H-1,3-oxazine
CID 54330229
2-octadecyl-6H-1,3-oxazine
CID 54076826

Frequently Asked Questions

What is the IUPAC name of 2-heptadecyl-4-methyl-4,5-dihydro-1,3-oxazole;4-methyl-2-pentadecyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-heptadecyl-4-methyl-4,5-dihydro-1,3-oxazole;4-methyl-2-pentadecyl-4,5-dihydro-1,3-oxazole (CID 70405269) is 2-heptadecyl-4-methyl-4,5-dihydro-1,3-oxazole;4-methyl-2-pentadecyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-heptadecyl-4-methyl-4,5-dihydro-1,3-oxazole;4-methyl-2-pentadecyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-heptadecyl-4-methyl-4,5-dihydro-1,3-oxazole;4-methyl-2-pentadecyl-4,5-dihydro-1,3-oxazole is CCCCCCCCCCCCCCCC1=NC(C)CO1.CCCCCCCCCCCCCCCCCC1=NC(C)CO1.
What is the InChIKey of 2-heptadecyl-4-methyl-4,5-dihydro-1,3-oxazole;4-methyl-2-pentadecyl-4,5-dihydro-1,3-oxazole?
The InChIKey is NWPCKNVHIYAKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41NO.C19H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22-20(2)19-23-21;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-20-18(2)17-21-19/h20H,3-19H2,1-2H3;18H,3-17H2,1-2H3.
What are the key properties of 2-heptadecyl-4-methyl-4,5-dihydro-1,3-oxazole;4-methyl-2-pentadecyl-4,5-dihydro-1,3-oxazole?
2-heptadecyl-4-methyl-4,5-dihydro-1,3-oxazole;4-methyl-2-pentadecyl-4,5-dihydro-1,3-oxazole has a molecular weight of 619.08 g/mol, XLogP of 13.35, 30 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptadecyl-4-methyl-4,5-dihydro-1,3-oxazole;4-methyl-2-pentadecyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 70405269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).