4-(3,5-dimethyl-1,2-oxazol-4-yl)but-3-en-1-ol

C9H13NO2 — CID 170476060

IUPAC4-(3,5-dimethyl-1,2-oxazol-4-yl)but-3-en-1-ol
SMILESCc1noc(C)c1C=CCCO
InChIInChI=1S/C9H13NO2/c1-7-9(5-3-4-6-11)8(2)12-10-7/h3,5,11H,4,6H2,1-2H3
InChIKeyPGJJDQXNZQIBAL-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.69
Rot. Bonds3

About 4-(3,5-dimethyl-1,2-oxazol-4-yl)but-3-en-1-ol

4-(3,5-dimethyl-1,2-oxazol-4-yl)but-3-en-1-ol (PubChem CID 170476060) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-(3,5-dimethyl-1,2-oxazol-4-yl)but-3-en-1-ol.

Molecular Properties

Compound Name4-(3,5-dimethyl-1,2-oxazol-4-yl)but-3-en-1-ol
PubChem CID170476060
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name4-(3,5-dimethyl-1,2-oxazol-4-yl)but-3-en-1-ol
SMILESCc1noc(C)c1C=CCCO
InChIInChI=1S/C9H13NO2/c1-7-9(5-3-4-6-11)8(2)12-10-7/h3,5,11H,4,6H2,1-2H3
InChIKeyPGJJDQXNZQIBAL-UHFFFAOYSA-N
XLogP1.69
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-4-[(Z)-prop-1-enyl]-1,2-oxazole
CID 147391521
(NE)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]hydroxylamine
CID 60639672
4-(2,2-dibromoethenyl)-3,5-dimethyl-1,2-oxazole
CID 89401907
(E)-3-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-enoate
CID 7063565
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine
CID 79339803
4-(4-hydroxybut-1-enyl)-3,5-dimethylbenzonitrile
CID 170476940
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethanol
CID 28833064
3,4,5-trimethyl-1,2-oxazole
CID 25375
N-ethyl-N-(2-hydroxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 39350742
5-(4-bromophenyl)-3-methyl-4-(4-phenylbut-1-enyl)-1,2-oxazole
CID 66578468
5-(4-hydroxybut-1-enyl)furan-2-carbaldehyde
CID 170475985
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N,N-dimethylpropane-1-sulfonamide
CID 91829294

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyl-1,2-oxazol-4-yl)but-3-en-1-ol?
The IUPAC name of 4-(3,5-dimethyl-1,2-oxazol-4-yl)but-3-en-1-ol (CID 170476060) is 4-(3,5-dimethyl-1,2-oxazol-4-yl)but-3-en-1-ol.
What is the SMILES notation for 4-(3,5-dimethyl-1,2-oxazol-4-yl)but-3-en-1-ol?
The canonical SMILES for 4-(3,5-dimethyl-1,2-oxazol-4-yl)but-3-en-1-ol is Cc1noc(C)c1C=CCCO.
What is the InChIKey of 4-(3,5-dimethyl-1,2-oxazol-4-yl)but-3-en-1-ol?
The InChIKey is PGJJDQXNZQIBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-7-9(5-3-4-6-11)8(2)12-10-7/h3,5,11H,4,6H2,1-2H3.
What are the key properties of 4-(3,5-dimethyl-1,2-oxazol-4-yl)but-3-en-1-ol?
4-(3,5-dimethyl-1,2-oxazol-4-yl)but-3-en-1-ol has a molecular weight of 167.21 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethyl-1,2-oxazol-4-yl)but-3-en-1-ol is sourced from PubChem (CID 170476060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).