(3-dodecyl-1,2-oxazol-5-yl)methanol

C16H29NO2 — CID 10635553

IUPAC(3-dodecyl-1,2-oxazol-5-yl)methanol
SMILESCCCCCCCCCCCCc1cc(CO)on1
InChIInChI=1S/C16H29NO2/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-16(14-18)19-17-15/h13,18H,2-12,14H2,1H3
InChIKeyCHIUIWQJXDAZBR-UHFFFAOYSA-N
MW267.41 g/mol
LogP4.63
Rot. Bonds12

About (3-dodecyl-1,2-oxazol-5-yl)methanol

(3-dodecyl-1,2-oxazol-5-yl)methanol (PubChem CID 10635553) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is (3-dodecyl-1,2-oxazol-5-yl)methanol.

Molecular Properties

Compound Name(3-dodecyl-1,2-oxazol-5-yl)methanol
PubChem CID10635553
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name(3-dodecyl-1,2-oxazol-5-yl)methanol
SMILESCCCCCCCCCCCCc1cc(CO)on1
InChIInChI=1S/C16H29NO2/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-16(14-18)19-17-15/h13,18H,2-12,14H2,1H3
InChIKeyCHIUIWQJXDAZBR-UHFFFAOYSA-N
XLogP4.63
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 10820493
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CID 12920232
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CID 133360
CID 133360
CID 14439316
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CID 155534755
CID 155534755
CID 12278245
CID 12278245
CID 12920234
CID 12920234
CID 20072746
CID 20072746
CID 50896749
CID 50896749
CID 54595047
CID 54595047

Frequently Asked Questions

What is the IUPAC name of (3-dodecyl-1,2-oxazol-5-yl)methanol?
The IUPAC name of (3-dodecyl-1,2-oxazol-5-yl)methanol (CID 10635553) is (3-dodecyl-1,2-oxazol-5-yl)methanol.
What is the SMILES notation for (3-dodecyl-1,2-oxazol-5-yl)methanol?
The canonical SMILES for (3-dodecyl-1,2-oxazol-5-yl)methanol is CCCCCCCCCCCCc1cc(CO)on1.
What is the InChIKey of (3-dodecyl-1,2-oxazol-5-yl)methanol?
The InChIKey is CHIUIWQJXDAZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-16(14-18)19-17-15/h13,18H,2-12,14H2,1H3.
What are the key properties of (3-dodecyl-1,2-oxazol-5-yl)methanol?
(3-dodecyl-1,2-oxazol-5-yl)methanol has a molecular weight of 267.41 g/mol, XLogP of 4.63, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-dodecyl-1,2-oxazol-5-yl)methanol is sourced from PubChem (CID 10635553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).