5-chloro-2-methoxy-4-(5-methyldodecan-5-yl)-1,3-oxazole

C17H30ClNO2 — CID 146379373

IUPAC5-chloro-2-methoxy-4-(5-methyldodecan-5-yl)-1,3-oxazole
SMILESCCCCCCCC(C)(CCCC)c1nc(OC)oc1Cl
InChIInChI=1S/C17H30ClNO2/c1-5-7-9-10-11-13-17(3,12-8-6-2)14-15(18)21-16(19-14)20-4/h5-13H2,1-4H3
InChIKeyMNXWTKVBGFJRMW-UHFFFAOYSA-N
MW315.89 g/mol
LogP6.14
Rot. Bonds11

About 5-chloro-2-methoxy-4-(5-methyldodecan-5-yl)-1,3-oxazole

5-chloro-2-methoxy-4-(5-methyldodecan-5-yl)-1,3-oxazole (PubChem CID 146379373) has the molecular formula C17H30ClNO2 and a molecular weight of 315.89 g/mol. Its IUPAC name is 5-chloro-2-methoxy-4-(5-methyldodecan-5-yl)-1,3-oxazole.

Molecular Properties

Compound Name5-chloro-2-methoxy-4-(5-methyldodecan-5-yl)-1,3-oxazole
PubChem CID146379373
Molecular FormulaC17H30ClNO2
Molecular Weight315.89 g/mol
Exact Mass315.20
IUPAC Name5-chloro-2-methoxy-4-(5-methyldodecan-5-yl)-1,3-oxazole
SMILESCCCCCCCC(C)(CCCC)c1nc(OC)oc1Cl
InChIInChI=1S/C17H30ClNO2/c1-5-7-9-10-11-13-17(3,12-8-6-2)14-15(18)21-16(19-14)20-4/h5-13H2,1-4H3
InChIKeyMNXWTKVBGFJRMW-UHFFFAOYSA-N
XLogP6.14
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.89
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-methoxy-4-(5-methyldodecan-5-yl)-1,3-oxazole
CID 146378252
2-iodo-5-methyl-4-(5-methyldodecan-5-yl)-1,3-oxazole
CID 146378264
2-fluoro-5-methoxy-4-(4-methyloctan-4-yl)-1,3-oxazole
CID 146377045
4-methoxy-N-methyl-5-(5-methyldodecan-5-yl)-1,3-oxazol-2-amine
CID 146379321
4-bromo-2-chloro-5-(6-methyldodecan-6-yl)-1,3-oxazole
CID 146379375
5-chloro-1-methyl-4-(6-methyldodecan-6-yl)triazole
CID 146377942
5-chloro-4-methoxy-6-(3-methyloctan-3-yl)pyrimidine
CID 146377305
5-fluoro-4-iodo-2-(5-methylundecan-5-yl)-1,3-oxazole
CID 146377053
2-methoxy-1-methyl-4-(6-methyldodecan-6-yl)imidazole
CID 146378115
3-methoxy-5-(5-methylundecan-5-yl)-1,2-thiazole
CID 146376933
3-(2-methylbutan-2-yl)-5-(5-methyldecan-5-yl)-1,2,4-oxadiazole
CID 146431143
3-chloro-6-(2-methylhexan-2-yl)-2-(3-methylnonan-3-yl)quinoxaline
CID 134415262

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-4-(5-methyldodecan-5-yl)-1,3-oxazole?
The IUPAC name of 5-chloro-2-methoxy-4-(5-methyldodecan-5-yl)-1,3-oxazole (CID 146379373) is 5-chloro-2-methoxy-4-(5-methyldodecan-5-yl)-1,3-oxazole.
What is the SMILES notation for 5-chloro-2-methoxy-4-(5-methyldodecan-5-yl)-1,3-oxazole?
The canonical SMILES for 5-chloro-2-methoxy-4-(5-methyldodecan-5-yl)-1,3-oxazole is CCCCCCCC(C)(CCCC)c1nc(OC)oc1Cl.
What is the InChIKey of 5-chloro-2-methoxy-4-(5-methyldodecan-5-yl)-1,3-oxazole?
The InChIKey is MNXWTKVBGFJRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30ClNO2/c1-5-7-9-10-11-13-17(3,12-8-6-2)14-15(18)21-16(19-14)20-4/h5-13H2,1-4H3.
What are the key properties of 5-chloro-2-methoxy-4-(5-methyldodecan-5-yl)-1,3-oxazole?
5-chloro-2-methoxy-4-(5-methyldodecan-5-yl)-1,3-oxazole has a molecular weight of 315.89 g/mol, XLogP of 6.14, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-4-(5-methyldodecan-5-yl)-1,3-oxazole is sourced from PubChem (CID 146379373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).