4-hexyl-2-methyl-1,3-oxazole

C10H17NO — CID 69482177

IUPAC4-hexyl-2-methyl-1,3-oxazole
SMILESCCCCCCc1coc(C)n1
InChIInChI=1S/C10H17NO/c1-3-4-5-6-7-10-8-12-9(2)11-10/h8H,3-7H2,1-2H3
InChIKeyNKFILVQCSXSCGL-UHFFFAOYSA-N
MW167.25 g/mol
LogP3.11
Rot. Bonds5

About 4-hexyl-2-methyl-1,3-oxazole

4-hexyl-2-methyl-1,3-oxazole (PubChem CID 69482177) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 4-hexyl-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-hexyl-2-methyl-1,3-oxazole
PubChem CID69482177
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name4-hexyl-2-methyl-1,3-oxazole
SMILESCCCCCCc1coc(C)n1
InChIInChI=1S/C10H17NO/c1-3-4-5-6-7-10-8-12-9(2)11-10/h8H,3-7H2,1-2H3
InChIKeyNKFILVQCSXSCGL-UHFFFAOYSA-N
XLogP3.11
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 53.11
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

4-Butyl-2-methyloxazole
CID 525783
2-Methyl-4-Pentyloxazole
CID 525786
2-Methyl-4-propyloxazole
CID 528406
4-Methyl-2-pentyloxazole
CID 525789
2-[(2-Tert-butyl-1,3-oxazol-4-yl)methyl]-2-(3,3,3-trifluoropropyl)propanedinitrile
CID 89006385
2-Fluoro-4-hexyl-1,3-oxazole
CID 91211469
Ethane;ethyl 2,2-difluoro-4-(2-methyl-1,3-oxazol-4-yl)butanoate
CID 145341479
2-Fluoro-4-(4-methyloctan-4-yl)-1,3-oxazole
CID 146378583
2-Tert-butyl-4-(1-fluorobutyl)-1,3-oxazole
CID 177343457
2-Butyl-4-propyl-1,3-oxazole
CID 86025802
4-Pentyl-2-propyl-1,3-oxazole
CID 86025809
13-Oxa-15-azabicyclo[10.2.1]pentadeca-1(14),12(15)-diene
CID 11629827

Frequently Asked Questions

What is the IUPAC name of 4-hexyl-2-methyl-1,3-oxazole?
The IUPAC name of 4-hexyl-2-methyl-1,3-oxazole (CID 69482177) is 4-hexyl-2-methyl-1,3-oxazole.
What is the SMILES notation for 4-hexyl-2-methyl-1,3-oxazole?
The canonical SMILES for 4-hexyl-2-methyl-1,3-oxazole is CCCCCCc1coc(C)n1.
What is the InChIKey of 4-hexyl-2-methyl-1,3-oxazole?
The InChIKey is NKFILVQCSXSCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-4-5-6-7-10-8-12-9(2)11-10/h8H,3-7H2,1-2H3.
What are the key properties of 4-hexyl-2-methyl-1,3-oxazole?
4-hexyl-2-methyl-1,3-oxazole has a molecular weight of 167.25 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexyl-2-methyl-1,3-oxazole is sourced from PubChem (CID 69482177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).