4-chloro-2-prop-2-enyl-1,3-oxazole

C6H6ClNO — CID 70235076

IUPAC4-chloro-2-prop-2-enyl-1,3-oxazole
SMILESC=CCc1nc(Cl)co1
InChIInChI=1S/C6H6ClNO/c1-2-3-6-8-5(7)4-9-6/h2,4H,1,3H2
InChIKeyAAPBSDZZWDSCBD-UHFFFAOYSA-N
MW143.57 g/mol
LogP2.06
Rot. Bonds2

About 4-chloro-2-prop-2-enyl-1,3-oxazole

4-chloro-2-prop-2-enyl-1,3-oxazole (PubChem CID 70235076) has the molecular formula C6H6ClNO and a molecular weight of 143.57 g/mol. Its IUPAC name is 4-chloro-2-prop-2-enyl-1,3-oxazole.

Molecular Properties

Compound Name4-chloro-2-prop-2-enyl-1,3-oxazole
PubChem CID70235076
Molecular FormulaC6H6ClNO
Molecular Weight143.57 g/mol
Exact Mass143.01
IUPAC Name4-chloro-2-prop-2-enyl-1,3-oxazole
SMILESC=CCc1nc(Cl)co1
InChIInChI=1S/C6H6ClNO/c1-2-3-6-8-5(7)4-9-6/h2,4H,1,3H2
InChIKeyAAPBSDZZWDSCBD-UHFFFAOYSA-N
XLogP2.06
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.57
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl 2-chloro-1,3-oxazole-4-carboxylate
CID 67547724
2-chloro-5-methyl-3-prop-2-enylpyridine
CID 46318113
2-[[(4-chlorobenzoyl)-prop-2-enylamino]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide
CID 4538772
4-(3,5-dimethylphenyl)-2-prop-2-enylfuran
CID 135042233
2-[[(2-chlorobenzoyl)-prop-2-enylamino]methyl]-N-prop-2-enyl-1,3-oxazole-4-carboxamide
CID 5125262
[2-[tert-butyl(dimethyl)silyl]-4-prop-2-enylfuran-3-yl]methanol
CID 10848443
2,3,9,10-tetrakis(prop-2-enyl)pentacene
CID 173239709
6-fluoro-1-prop-2-enyl-2-benzofuran
CID 118049771
2,6-dichloro-N-prop-2-enylpyridine-4-carboxamide
CID 9399521
7-chloro-4-prop-2-enyl-1-benzofuran
CID 140997088
4,6-dichloro-5-prop-2-enyl-2-(4-prop-2-enylphenyl)pyrimidine
CID 88801779
2-prop-2-enylpyridine
CID 3015241

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-prop-2-enyl-1,3-oxazole?
The IUPAC name of 4-chloro-2-prop-2-enyl-1,3-oxazole (CID 70235076) is 4-chloro-2-prop-2-enyl-1,3-oxazole.
What is the SMILES notation for 4-chloro-2-prop-2-enyl-1,3-oxazole?
The canonical SMILES for 4-chloro-2-prop-2-enyl-1,3-oxazole is C=CCc1nc(Cl)co1.
What is the InChIKey of 4-chloro-2-prop-2-enyl-1,3-oxazole?
The InChIKey is AAPBSDZZWDSCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO/c1-2-3-6-8-5(7)4-9-6/h2,4H,1,3H2.
What are the key properties of 4-chloro-2-prop-2-enyl-1,3-oxazole?
4-chloro-2-prop-2-enyl-1,3-oxazole has a molecular weight of 143.57 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-prop-2-enyl-1,3-oxazole is sourced from PubChem (CID 70235076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).