4-methyl-2-(2-methyldecan-2-yl)-4,5-dihydro-1,3-oxazole

C15H29NO — CID 19825995

IUPAC4-methyl-2-(2-methyldecan-2-yl)-4,5-dihydro-1,3-oxazole
SMILESCCCCCCCCC(C)(C)C1=NC(C)CO1
InChIInChI=1S/C15H29NO/c1-5-6-7-8-9-10-11-15(3,4)14-16-13(2)12-17-14/h13H,5-12H2,1-4H3
InChIKeyNSEBCHJLRLWBOK-UHFFFAOYSA-N
MW239.40 g/mol
LogP4.58
Rot. Bonds8

About 4-methyl-2-(2-methyldecan-2-yl)-4,5-dihydro-1,3-oxazole

4-methyl-2-(2-methyldecan-2-yl)-4,5-dihydro-1,3-oxazole (PubChem CID 19825995) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 4-methyl-2-(2-methyldecan-2-yl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-methyl-2-(2-methyldecan-2-yl)-4,5-dihydro-1,3-oxazole
PubChem CID19825995
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name4-methyl-2-(2-methyldecan-2-yl)-4,5-dihydro-1,3-oxazole
SMILESCCCCCCCCC(C)(C)C1=NC(C)CO1
InChIInChI=1S/C15H29NO/c1-5-6-7-8-9-10-11-15(3,4)14-16-13(2)12-17-14/h13H,5-12H2,1-4H3
InChIKeyNSEBCHJLRLWBOK-UHFFFAOYSA-N
XLogP4.58
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-heptadecyl-4-methyl-4,5-dihydro-1,3-oxazole;4-methyl-2-pentadecyl-4,5-dihydro-1,3-oxazole
CID 70405269
3-(5-methyldodecan-5-yl)oxetane
CID 130337165
4-(2-methyloctan-2-yl)-1,3-oxazole
CID 166896214
2-iodo-2-methylnonane
CID 12714355
7-methylhexadecan-7-ylsilane
CID 173411878
1-(2-methyloctadecan-2-yl)-2-octylcyclopropene
CID 174767286
azane;2-(2,2-dimethyltritriacontyl)oxirane
CID 174889957
1-(7,7-dimethylheptadecyl)-2-methylcyclopropane
CID 123261970
5-methoxy-2-(2-methyloctan-2-yl)pyrimidine
CID 126596037
13-methyl-13-octylhentriacontane
CID 173152457
11-methyl-11-nonylhenicosane
CID 19690388
16,16,21,21-tetramethylhexatriacontane
CID 174880889

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methyldecan-2-yl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-methyl-2-(2-methyldecan-2-yl)-4,5-dihydro-1,3-oxazole (CID 19825995) is 4-methyl-2-(2-methyldecan-2-yl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-methyl-2-(2-methyldecan-2-yl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-methyl-2-(2-methyldecan-2-yl)-4,5-dihydro-1,3-oxazole is CCCCCCCCC(C)(C)C1=NC(C)CO1.
What is the InChIKey of 4-methyl-2-(2-methyldecan-2-yl)-4,5-dihydro-1,3-oxazole?
The InChIKey is NSEBCHJLRLWBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-5-6-7-8-9-10-11-15(3,4)14-16-13(2)12-17-14/h13H,5-12H2,1-4H3.
What are the key properties of 4-methyl-2-(2-methyldecan-2-yl)-4,5-dihydro-1,3-oxazole?
4-methyl-2-(2-methyldecan-2-yl)-4,5-dihydro-1,3-oxazole has a molecular weight of 239.40 g/mol, XLogP of 4.58, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methyldecan-2-yl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 19825995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).