3-(3-methylbut-1-enyl)-1,2-oxazole

C8H11NO — CID 123903701

IUPAC3-(3-methylbut-1-enyl)-1,2-oxazole
SMILESCC(C)C=Cc1ccon1
InChIInChI=1S/C8H11NO/c1-7(2)3-4-8-5-6-10-9-8/h3-7H,1-2H3
InChIKeyMSRHWOKIPNWLIL-UHFFFAOYSA-N
MW137.18 g/mol
LogP2.34
Rot. Bonds2

About 3-(3-methylbut-1-enyl)-1,2-oxazole

3-(3-methylbut-1-enyl)-1,2-oxazole (PubChem CID 123903701) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 3-(3-methylbut-1-enyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(3-methylbut-1-enyl)-1,2-oxazole
PubChem CID123903701
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name3-(3-methylbut-1-enyl)-1,2-oxazole
SMILESCC(C)C=Cc1ccon1
InChIInChI=1S/C8H11NO/c1-7(2)3-4-8-5-6-10-9-8/h3-7H,1-2H3
InChIKeyMSRHWOKIPNWLIL-UHFFFAOYSA-N
XLogP2.34
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methylisoxazole
CID 96098
3-Ethenyl-1,2-oxazole
CID 11018809
3-[(3E)-5-fluorohexa-3,5-dien-3-yl]-1,2-oxazole
CID 166774866
(Z)-2-fluoro-3-(1,2-oxazol-3-yl)prop-2-enoic acid
CID 170439198
ethyl (Z)-2-fluoro-3-(1,2-oxazol-3-yl)prop-2-enoate
CID 170619161
3-[2-(Trifluoromethyl)hept-1-enyl]-1,2-oxazole
CID 175325188
3-(Propan-2-yl)-1,2-oxazole
CID 12529661
3-(2,2-Dichloroethenyl)-1,2-oxazole
CID 14687246
Isoxazolylvinyl ketone
CID 154926152
Isoxazolylallylamine
CID 156905784
Onezatvskdsvaf-uhfffaoysa-
CID 12428068
Ckdwealfcneqsn-uhfffaoysa-
CID 23269655

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbut-1-enyl)-1,2-oxazole?
The IUPAC name of 3-(3-methylbut-1-enyl)-1,2-oxazole (CID 123903701) is 3-(3-methylbut-1-enyl)-1,2-oxazole.
What is the SMILES notation for 3-(3-methylbut-1-enyl)-1,2-oxazole?
The canonical SMILES for 3-(3-methylbut-1-enyl)-1,2-oxazole is CC(C)C=Cc1ccon1.
What is the InChIKey of 3-(3-methylbut-1-enyl)-1,2-oxazole?
The InChIKey is MSRHWOKIPNWLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-7(2)3-4-8-5-6-10-9-8/h3-7H,1-2H3.
What are the key properties of 3-(3-methylbut-1-enyl)-1,2-oxazole?
3-(3-methylbut-1-enyl)-1,2-oxazole has a molecular weight of 137.18 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbut-1-enyl)-1,2-oxazole is sourced from PubChem (CID 123903701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).