3-[3-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazole

C12H12N2O2 — CID 151374673

IUPAC3-[3-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazole
SMILESc1cc(C2=NOCC2)cc(C2=NOCC2)c1
InChIInChI=1S/C12H12N2O2/c1-2-9(11-4-6-15-13-11)8-10(3-1)12-5-7-16-14-12/h1-3,8H,4-7H2
InChIKeyORECBEHGVVKNFR-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.94
Rot. Bonds2

About 3-[3-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazole

3-[3-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazole (PubChem CID 151374673) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-[3-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-[3-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazole
PubChem CID151374673
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name3-[3-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazole
SMILESc1cc(C2=NOCC2)cc(C2=NOCC2)c1
InChIInChI=1S/C12H12N2O2/c1-2-9(11-4-6-15-13-11)8-10(3-1)12-5-7-16-14-12/h1-3,8H,4-7H2
InChIKeyORECBEHGVVKNFR-UHFFFAOYSA-N
XLogP1.94
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-phenylphenyl)-4,5-dihydro-1,2-oxazole
CID 174685517
[3-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-methyl-phenylphosphane
CID 174982709
3-(3,5-dichlorophenyl)-4,5-dihydro-1,2-oxazole
CID 69225817
2-[4-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]guanidine
CID 139904317
2-(4,5-dihydro-1,2-oxazol-3-yl)aniline
CID 22506036
3-(3-methylphenyl)-5,6-dihydro-1,4,2-dioxazine
CID 20698390
5-phenyl-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazole
CID 139240735
(5R,18R)-4,7,10,13,16,19-hexaoxa-3,20-diazatetracyclo[20.3.1.12,5.118,21]octacosa-1(26),2,20,22,24-pentaene-6,17-dione
CID 177408482
bicyclo[3.1.0]hexa-1(6),2,4-triene;hydroiodide
CID 174338176
[3-(4,5-dihydro-1,2-oxazol-3-yl)-2,4,5-trimethylphenyl]methanediol
CID 20662014
3-(3-chloro-2-methyl-6-methylsulfanylphenyl)-4,5-dihydro-1,2-oxazole
CID 11195852
iodobenzene;3-methyl-4,5-dihydro-1,2-oxazole
CID 143618128

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-[3-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazole (CID 151374673) is 3-[3-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-[3-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-[3-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazole is c1cc(C2=NOCC2)cc(C2=NOCC2)c1.
What is the InChIKey of 3-[3-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazole?
The InChIKey is ORECBEHGVVKNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-2-9(11-4-6-15-13-11)8-10(3-1)12-5-7-16-14-12/h1-3,8H,4-7H2.
What are the key properties of 3-[3-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazole?
3-[3-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazole has a molecular weight of 216.24 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 151374673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).