2-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopropane-1-carbonitrile

C11H8N2O2 — CID 116837000

IUPAC2-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopropane-1-carbonitrile
SMILESN#CC1CC1c1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C11H8N2O2/c12-5-7-3-8(7)6-1-2-10-9(4-6)13-11(14)15-10/h1-2,4,7-8H,3H2,(H,13,14)
InChIKeyZFOGUXFWYRPWPA-UHFFFAOYSA-N
MW200.20 g/mol
LogP1.75
Rot. Bonds1

About 2-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopropane-1-carbonitrile

2-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopropane-1-carbonitrile (PubChem CID 116837000) has the molecular formula C11H8N2O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is 2-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name2-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopropane-1-carbonitrile
PubChem CID116837000
Molecular FormulaC11H8N2O2
Molecular Weight200.20 g/mol
Exact Mass200.06
IUPAC Name2-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopropane-1-carbonitrile
SMILESN#CC1CC1c1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C11H8N2O2/c12-5-7-3-8(7)6-1-2-10-9(4-6)13-11(14)15-10/h1-2,4,7-8H,3H2,(H,13,14)
InChIKeyZFOGUXFWYRPWPA-UHFFFAOYSA-N
XLogP1.75
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carbonitrile
CID 116836992
2-[2-oxo-4-(2-oxo-3H-1,3-benzoxazol-5-yl)imidazolidin-1-yl]acetonitrile
CID 116980196
2-oxo-4-(2-oxo-3H-1,3-benzoxazol-5-yl)imidazolidine-1-carbonitrile
CID 116980073
5-amino-3H-1,3-benzoxazol-2-one
CID 26856
5-(3-methylpiperazin-2-yl)-3H-1,3-benzoxazol-2-one
CID 116829287
5-morpholin-3-yl-3H-1,3-benzoxazol-2-one
CID 116963142
methyl-(2-oxo-3H-1,3-benzoxazol-5-yl)cyanamide
CID 117043254
5-(2-oxo-1-propan-2-ylimidazolidin-4-yl)-3H-1,3-benzoxazol-2-one
CID 116981155
3,7-dihydro-[1,3]oxazolo[5,4-f][1,3]benzoxazole-2,6-dione
CID 102579895
5-(3,4-dihydro-2H-1,4-benzoxazin-3-yl)-3H-1,3-benzoxazol-2-one
CID 116837252
5-[1-(2-aminoethyl)piperidin-4-yl]-3H-1,3-benzoxazol-2-one
CID 116962874
5-(azetidine-3-carbonyl)-3H-1,3-benzoxazol-2-one
CID 90053957

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopropane-1-carbonitrile?
The IUPAC name of 2-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopropane-1-carbonitrile (CID 116837000) is 2-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 2-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopropane-1-carbonitrile?
The canonical SMILES for 2-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopropane-1-carbonitrile is N#CC1CC1c1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of 2-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopropane-1-carbonitrile?
The InChIKey is ZFOGUXFWYRPWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2/c12-5-7-3-8(7)6-1-2-10-9(4-6)13-11(14)15-10/h1-2,4,7-8H,3H2,(H,13,14).
What are the key properties of 2-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopropane-1-carbonitrile?
2-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopropane-1-carbonitrile has a molecular weight of 200.20 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 116837000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).