5-decan-5-yl-4-methyl-1,3-oxazole

C14H25NO — CID 134369506

IUPAC5-decan-5-yl-4-methyl-1,3-oxazole
SMILESCCCCCC(CCCC)c1ocnc1C
InChIInChI=1S/C14H25NO/c1-4-6-8-10-13(9-7-5-2)14-12(3)15-11-16-14/h11,13H,4-10H2,1-3H3
InChIKeyDMHATIVUFUGJLW-UHFFFAOYSA-N
MW223.36 g/mol
LogP4.84
Rot. Bonds8

About 5-decan-5-yl-4-methyl-1,3-oxazole

5-decan-5-yl-4-methyl-1,3-oxazole (PubChem CID 134369506) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 5-decan-5-yl-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name5-decan-5-yl-4-methyl-1,3-oxazole
PubChem CID134369506
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name5-decan-5-yl-4-methyl-1,3-oxazole
SMILESCCCCCC(CCCC)c1ocnc1C
InChIInChI=1S/C14H25NO/c1-4-6-8-10-13(9-7-5-2)14-12(3)15-11-16-14/h11,13H,4-10H2,1-3H3
InChIKeyDMHATIVUFUGJLW-UHFFFAOYSA-N
XLogP4.84
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 54.84
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

Cyclododecoxazole, 4,5,6,7,8,9,10,11,12,13-decahydro-
CID 162297
Oxazole, 5-isobutyl-4-methyl-
CID 207289
Oxazole, 4-methyl-5-propyl-
CID 214134
4-Ethyl-5-pentyloxazole
CID 54303054
4-(Chloromethyl)-5-cyclobutyl-1,3-oxazole
CID 79153117
5-Cyclobutyl-1,3-oxazole-4-carbaldehyde
CID 139022502
4-n-Butyl-5-methyloxazole
CID 15176127
5-Nonyl-1,3-oxazole-4-carbonitrile
CID 12046255
4,5-Dipropyloxazole
CID 19964978
4,5-Dibutyloxazole
CID 129727663
4-Butyl-5-isopropyl-2-methyl-1,3-oxazole
CID 384231
[2-[1-(4-Methyl-1,3-oxazol-5-yl)ethyl]cyclohexen-1-yl] trifluoromethanesulfonate
CID 57731346

Frequently Asked Questions

What is the IUPAC name of 5-decan-5-yl-4-methyl-1,3-oxazole?
The IUPAC name of 5-decan-5-yl-4-methyl-1,3-oxazole (CID 134369506) is 5-decan-5-yl-4-methyl-1,3-oxazole.
What is the SMILES notation for 5-decan-5-yl-4-methyl-1,3-oxazole?
The canonical SMILES for 5-decan-5-yl-4-methyl-1,3-oxazole is CCCCCC(CCCC)c1ocnc1C.
What is the InChIKey of 5-decan-5-yl-4-methyl-1,3-oxazole?
The InChIKey is DMHATIVUFUGJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-4-6-8-10-13(9-7-5-2)14-12(3)15-11-16-14/h11,13H,4-10H2,1-3H3.
What are the key properties of 5-decan-5-yl-4-methyl-1,3-oxazole?
5-decan-5-yl-4-methyl-1,3-oxazole has a molecular weight of 223.36 g/mol, XLogP of 4.84, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-decan-5-yl-4-methyl-1,3-oxazole is sourced from PubChem (CID 134369506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).