2-[2-hydroxy-4-(4-methyl-1,3-oxazol-2-yl)phenyl]acetonitrile

C12H10N2O2 — CID 142250607

IUPAC2-[2-hydroxy-4-(4-methyl-1,3-oxazol-2-yl)phenyl]acetonitrile
SMILESCc1coc(-c2ccc(CC#N)c(O)c2)n1
InChIInChI=1S/C12H10N2O2/c1-8-7-16-12(14-8)10-3-2-9(4-5-13)11(15)6-10/h2-3,6-7,15H,4H2,1H3
InChIKeyXQRONLBMZSXJEX-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.42
Rot. Bonds2

About 2-[2-hydroxy-4-(4-methyl-1,3-oxazol-2-yl)phenyl]acetonitrile

2-[2-hydroxy-4-(4-methyl-1,3-oxazol-2-yl)phenyl]acetonitrile (PubChem CID 142250607) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-[2-hydroxy-4-(4-methyl-1,3-oxazol-2-yl)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[2-hydroxy-4-(4-methyl-1,3-oxazol-2-yl)phenyl]acetonitrile
PubChem CID142250607
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name2-[2-hydroxy-4-(4-methyl-1,3-oxazol-2-yl)phenyl]acetonitrile
SMILESCc1coc(-c2ccc(CC#N)c(O)c2)n1
InChIInChI=1S/C12H10N2O2/c1-8-7-16-12(14-8)10-3-2-9(4-5-13)11(15)6-10/h2-3,6-7,15H,4H2,1H3
InChIKeyXQRONLBMZSXJEX-UHFFFAOYSA-N
XLogP2.42
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1,3-benzoxazol-2-yl)-2-hydroxyphenyl]acetonitrile
CID 10149217
2-[4-(4-methyl-1,3-oxazol-2-yl)phenyl]propan-2-ol
CID 84682769
3-amino-N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]propanamide;hydrochloride
CID 119342913
1-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]ethanone
CID 115022186
1-[[4-(4-methyl-1,3-oxazol-2-yl)phenyl]methyl]cyclopropan-1-ol
CID 117330636
2-(3-hydroxy-2,4-dimethylphenyl)acetonitrile
CID 117276124
2-(2,4-dihydroxy-3-methylphenyl)acetonitrile
CID 84764573
N-methyl-3-(4-methyl-1,3-oxazol-2-yl)aniline
CID 82468640
2-[5-(cyanomethyl)-2,6-dimethyl-3-pyridinyl]acetonitrile
CID 68939181
2-(2-fluorophenyl)-4-methyl-1,3-oxazole
CID 146080980
2-[4-(cyanomethyl)-3-hydroxyphenyl]acetic acid
CID 91883656
2-(2-methoxyethylamino)-N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]acetamide;hydrochloride
CID 119817439

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-4-(4-methyl-1,3-oxazol-2-yl)phenyl]acetonitrile?
The IUPAC name of 2-[2-hydroxy-4-(4-methyl-1,3-oxazol-2-yl)phenyl]acetonitrile (CID 142250607) is 2-[2-hydroxy-4-(4-methyl-1,3-oxazol-2-yl)phenyl]acetonitrile.
What is the SMILES notation for 2-[2-hydroxy-4-(4-methyl-1,3-oxazol-2-yl)phenyl]acetonitrile?
The canonical SMILES for 2-[2-hydroxy-4-(4-methyl-1,3-oxazol-2-yl)phenyl]acetonitrile is Cc1coc(-c2ccc(CC#N)c(O)c2)n1.
What is the InChIKey of 2-[2-hydroxy-4-(4-methyl-1,3-oxazol-2-yl)phenyl]acetonitrile?
The InChIKey is XQRONLBMZSXJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-8-7-16-12(14-8)10-3-2-9(4-5-13)11(15)6-10/h2-3,6-7,15H,4H2,1H3.
What are the key properties of 2-[2-hydroxy-4-(4-methyl-1,3-oxazol-2-yl)phenyl]acetonitrile?
2-[2-hydroxy-4-(4-methyl-1,3-oxazol-2-yl)phenyl]acetonitrile has a molecular weight of 214.22 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-4-(4-methyl-1,3-oxazol-2-yl)phenyl]acetonitrile is sourced from PubChem (CID 142250607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).