4-ethyl-1,3-benzoxazole-2-carboxamide

C10H10N2O2 — CID 118827629

IUPAC4-ethyl-1,3-benzoxazole-2-carboxamide
SMILESCCc1cccc2oc(C(N)=O)nc12
InChIInChI=1S/C10H10N2O2/c1-2-6-4-3-5-7-8(6)12-10(14-7)9(11)13/h3-5H,2H2,1H3,(H2,11,13)
InChIKeyIUEPBQHBUUOBSY-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.49
Rot. Bonds2

About 4-ethyl-1,3-benzoxazole-2-carboxamide

4-ethyl-1,3-benzoxazole-2-carboxamide (PubChem CID 118827629) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 4-ethyl-1,3-benzoxazole-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-1,3-benzoxazole-2-carboxamide
PubChem CID118827629
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name4-ethyl-1,3-benzoxazole-2-carboxamide
SMILESCCc1cccc2oc(C(N)=O)nc12
InChIInChI=1S/C10H10N2O2/c1-2-6-4-3-5-7-8(6)12-10(14-7)9(11)13/h3-5H,2H2,1H3,(H2,11,13)
InChIKeyIUEPBQHBUUOBSY-UHFFFAOYSA-N
XLogP1.49
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Benzoxazole, 2-methyl-5-phenyl-
CID 112786
Benzenamine, 4-(2-benzoxazolyl)-
CID 88733
Benzoxazole, 2-(phenylmethyl)-
CID 16179
Benzoxazole, 2-phenyl-
CID 70030
2-p-Tolylbenzoxazole
CID 70039
L 697639
CID 60832
2,5-Dimethylbenzoxazole
CID 21884
2-(2'-Methylphenyl)benzoxazole
CID 154899
3-(5-Methyl-1,3-benzoxazol-2-YL)phenylamine
CID 348698
2-(2-Methylphenyl)-1,3-benzoxazol-5-amine
CID 644436
2-(4-Biphenyl)-6-phenylbenzoxazole
CID 86930
L 696040
CID 131887

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,3-benzoxazole-2-carboxamide?
The IUPAC name of 4-ethyl-1,3-benzoxazole-2-carboxamide (CID 118827629) is 4-ethyl-1,3-benzoxazole-2-carboxamide.
What is the SMILES notation for 4-ethyl-1,3-benzoxazole-2-carboxamide?
The canonical SMILES for 4-ethyl-1,3-benzoxazole-2-carboxamide is CCc1cccc2oc(C(N)=O)nc12.
What is the InChIKey of 4-ethyl-1,3-benzoxazole-2-carboxamide?
The InChIKey is IUEPBQHBUUOBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-2-6-4-3-5-7-8(6)12-10(14-7)9(11)13/h3-5H,2H2,1H3,(H2,11,13).
What are the key properties of 4-ethyl-1,3-benzoxazole-2-carboxamide?
4-ethyl-1,3-benzoxazole-2-carboxamide has a molecular weight of 190.20 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,3-benzoxazole-2-carboxamide is sourced from PubChem (CID 118827629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).