2-chloro-4-(4-methyloctan-4-yl)-1,3-oxazole

C12H20ClNO — CID 146378751

IUPAC2-chloro-4-(4-methyloctan-4-yl)-1,3-oxazole
SMILESCCCCC(C)(CCC)c1coc(Cl)n1
InChIInChI=1S/C12H20ClNO/c1-4-6-8-12(3,7-5-2)10-9-15-11(13)14-10/h9H,4-8H2,1-3H3
InChIKeyMOQUJHFBMXVCAV-UHFFFAOYSA-N
MW229.75 g/mol
LogP4.58
Rot. Bonds6

About 2-chloro-4-(4-methyloctan-4-yl)-1,3-oxazole

2-chloro-4-(4-methyloctan-4-yl)-1,3-oxazole (PubChem CID 146378751) has the molecular formula C12H20ClNO and a molecular weight of 229.75 g/mol. Its IUPAC name is 2-chloro-4-(4-methyloctan-4-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-chloro-4-(4-methyloctan-4-yl)-1,3-oxazole
PubChem CID146378751
Molecular FormulaC12H20ClNO
Molecular Weight229.75 g/mol
Exact Mass229.12
IUPAC Name2-chloro-4-(4-methyloctan-4-yl)-1,3-oxazole
SMILESCCCCC(C)(CCC)c1coc(Cl)n1
InChIInChI=1S/C12H20ClNO/c1-4-6-8-12(3,7-5-2)10-9-15-11(13)14-10/h9H,4-8H2,1-3H3
InChIKeyMOQUJHFBMXVCAV-UHFFFAOYSA-N
XLogP4.58
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.75
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethenyl-4-(3-methyldecan-3-yl)-1,3-oxazole
CID 155110068
5-methyl-3-(4-methyloctan-4-yl)-1,2-thiazole
CID 146378474
2-methyl-5-(4-methyloctan-4-yl)pyrimidine
CID 130337188
5-(4-methylheptan-4-yl)-2-(4-methyloctan-4-yl)pyrimidine
CID 123451996
4-bromo-2-chloro-5-(6-methyldodecan-6-yl)-1,3-oxazole
CID 146379375
2-fluoro-6-(5-methyldodecan-5-yl)pyridine
CID 138690442
5-bromo-2-fluoro-4-(4-methyloctan-4-yl)-1,3-oxazole
CID 146378755
2-(5-methylundecan-5-yl)-1,3-oxazole
CID 146378601
2-fluoro-5-methoxy-4-(4-methyloctan-4-yl)-1,3-oxazole
CID 146377045
5-methyl-3-(7-methyltetradecan-7-yl)-1,2-oxazole
CID 166775284
2-ethenyl-4-(3-methylheptan-3-yl)-1,3-thiazole
CID 129256914
5-chloro-2-methoxy-4-(5-methyldodecan-5-yl)-1,3-oxazole
CID 146379373

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-methyloctan-4-yl)-1,3-oxazole?
The IUPAC name of 2-chloro-4-(4-methyloctan-4-yl)-1,3-oxazole (CID 146378751) is 2-chloro-4-(4-methyloctan-4-yl)-1,3-oxazole.
What is the SMILES notation for 2-chloro-4-(4-methyloctan-4-yl)-1,3-oxazole?
The canonical SMILES for 2-chloro-4-(4-methyloctan-4-yl)-1,3-oxazole is CCCCC(C)(CCC)c1coc(Cl)n1.
What is the InChIKey of 2-chloro-4-(4-methyloctan-4-yl)-1,3-oxazole?
The InChIKey is MOQUJHFBMXVCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNO/c1-4-6-8-12(3,7-5-2)10-9-15-11(13)14-10/h9H,4-8H2,1-3H3.
What are the key properties of 2-chloro-4-(4-methyloctan-4-yl)-1,3-oxazole?
2-chloro-4-(4-methyloctan-4-yl)-1,3-oxazole has a molecular weight of 229.75 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-methyloctan-4-yl)-1,3-oxazole is sourced from PubChem (CID 146378751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).