5-ethyl-1,3-oxazole-4-carbonitrile

C6H6N2O — CID 170910241

IUPAC5-ethyl-1,3-oxazole-4-carbonitrile
SMILESCCc1ocnc1C#N
InChIInChI=1S/C6H6N2O/c1-2-6-5(3-7)8-4-9-6/h4H,2H2,1H3
InChIKeyPHENKNKKQQOVGX-UHFFFAOYSA-N
MW122.13 g/mol
LogP1.11
Rot. Bonds1

About 5-ethyl-1,3-oxazole-4-carbonitrile

5-ethyl-1,3-oxazole-4-carbonitrile (PubChem CID 170910241) has the molecular formula C6H6N2O and a molecular weight of 122.13 g/mol. Its IUPAC name is 5-ethyl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-ethyl-1,3-oxazole-4-carbonitrile
PubChem CID170910241
Molecular FormulaC6H6N2O
Molecular Weight122.13 g/mol
Exact Mass122.05
IUPAC Name5-ethyl-1,3-oxazole-4-carbonitrile
SMILESCCc1ocnc1C#N
InChIInChI=1S/C6H6N2O/c1-2-6-5(3-7)8-4-9-6/h4H,2H2,1H3
InChIKeyPHENKNKKQQOVGX-UHFFFAOYSA-N
XLogP1.11
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.13
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Ethyl-4-methyloxazole
CID 207286
4-Methyloxazole-5-carbonitrile
CID 70480
Oxazole, 5-(2-chloroethyl)-4-methyl-
CID 120387
Oxazole, 4-methyl-5-propyl-
CID 214134
5-Methyl-1,3-oxazole-4-carbonitrile
CID 67291675
Oxazole, 4-ethyl-5-methyl
CID 529031
Oxazole, 5-acetoxime-4-methyl-
CID 74051013
5-Propan-2-yl-4-(trifluoromethyl)-1,3-oxazole
CID 139342279
4-(Difluoromethyl)-5-propan-2-yl-1,3-oxazole
CID 154623357
4-(Difluoromethyl)-5-ethyl-1,3-oxazole
CID 167066192
4-(Fluoromethyl)-5-propan-2-yl-1,3-oxazole
CID 169163575
Oxazole, 4,5-diethyl
CID 529030

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-ethyl-1,3-oxazole-4-carbonitrile (CID 170910241) is 5-ethyl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-ethyl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-ethyl-1,3-oxazole-4-carbonitrile is CCc1ocnc1C#N.
What is the InChIKey of 5-ethyl-1,3-oxazole-4-carbonitrile?
The InChIKey is PHENKNKKQQOVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O/c1-2-6-5(3-7)8-4-9-6/h4H,2H2,1H3.
What are the key properties of 5-ethyl-1,3-oxazole-4-carbonitrile?
5-ethyl-1,3-oxazole-4-carbonitrile has a molecular weight of 122.13 g/mol, XLogP of 1.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 170910241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).