2-[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]acetonitrile

C14H12N2O2 — CID 51862538

IUPAC2-[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]acetonitrile
SMILESC[C@@H]1Cc2cc(-c3cc(CC#N)no3)ccc2O1
InChIInChI=1S/C14H12N2O2/c1-9-6-11-7-10(2-3-13(11)17-9)14-8-12(4-5-15)16-18-14/h2-3,7-9H,4,6H2,1H3/t9-/m1/s1
InChIKeyYTHAERAUUCLNLQ-SECBINFHSA-N
MW240.26 g/mol
LogP2.73
Rot. Bonds2

About 2-[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]acetonitrile

2-[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]acetonitrile (PubChem CID 51862538) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]acetonitrile
PubChem CID51862538
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name2-[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]acetonitrile
SMILESC[C@@H]1Cc2cc(-c3cc(CC#N)no3)ccc2O1
InChIInChI=1S/C14H12N2O2/c1-9-6-11-7-10(2-3-13(11)17-9)14-8-12(4-5-15)16-18-14/h2-3,7-9H,4,6H2,1H3/t9-/m1/s1
InChIKeyYTHAERAUUCLNLQ-SECBINFHSA-N
XLogP2.73
TPSA59.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]acetonitrile with MolForge

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Related Compounds

(E)-N-[[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl]-3-phenylprop-2-enamide
CID 178186548
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetonitrile
CID 45496834
N-[[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]methyl]-2-pyridin-4-ylsulfanylacetamide
CID 51863054
[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl 2-(1,2-benzoxazol-3-yl)acetate
CID 45497881
2-[5-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 93477821
5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2-oxazol-3-amine
CID 117308010
N-[2-(cyclohexen-1-yl)ethyl]-2-[5-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]acetamide
CID 51696429
3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propanenitrile
CID 84770407
2-[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 51696436
2-(benzimidazol-1-yl)-N-[[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]methyl]acetamide
CID 93486204
[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl 2-(benzimidazol-1-yl)acetate
CID 45497882
4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-amine
CID 117308055

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]acetonitrile?
The IUPAC name of 2-[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]acetonitrile (CID 51862538) is 2-[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]acetonitrile.
What is the SMILES notation for 2-[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]acetonitrile?
The canonical SMILES for 2-[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]acetonitrile is C[C@@H]1Cc2cc(-c3cc(CC#N)no3)ccc2O1.
What is the InChIKey of 2-[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]acetonitrile?
The InChIKey is YTHAERAUUCLNLQ-SECBINFHSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-9-6-11-7-10(2-3-13(11)17-9)14-8-12(4-5-15)16-18-14/h2-3,7-9H,4,6H2,1H3/t9-/m1/s1.
What are the key properties of 2-[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]acetonitrile?
2-[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]acetonitrile has a molecular weight of 240.26 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]acetonitrile is sourced from PubChem (CID 51862538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).