2-ethyl-3-(5-methyl-1,2-oxazol-4-yl)aniline

C12H14N2O — CID 69176055

IUPAC2-ethyl-3-(5-methyl-1,2-oxazol-4-yl)aniline
SMILESCCc1c(N)cccc1-c1cnoc1C
InChIInChI=1S/C12H14N2O/c1-3-9-10(5-4-6-12(9)13)11-7-14-15-8(11)2/h4-7H,3,13H2,1-2H3
InChIKeyKIGBIMAPXXVCRO-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.79
Rot. Bonds2

About 2-ethyl-3-(5-methyl-1,2-oxazol-4-yl)aniline

2-ethyl-3-(5-methyl-1,2-oxazol-4-yl)aniline (PubChem CID 69176055) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-ethyl-3-(5-methyl-1,2-oxazol-4-yl)aniline.

Molecular Properties

Compound Name2-ethyl-3-(5-methyl-1,2-oxazol-4-yl)aniline
PubChem CID69176055
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-ethyl-3-(5-methyl-1,2-oxazol-4-yl)aniline
SMILESCCc1c(N)cccc1-c1cnoc1C
InChIInChI=1S/C12H14N2O/c1-3-9-10(5-4-6-12(9)13)11-7-14-15-8(11)2/h4-7H,3,13H2,1-2H3
InChIKeyKIGBIMAPXXVCRO-UHFFFAOYSA-N
XLogP2.79
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(3-amino-2-ethylphenyl)-5-chloropyridin-2-amine
CID 123953894
2-methyl-5-(5-methyl-1,2-oxazol-4-yl)aniline
CID 155718046
3-(3,6-dihydro-2H-pyran-4-yl)-2-ethylaniline
CID 156732817
5-methyl-4-(2-nitrophenyl)-1,2-oxazole
CID 21271820
4-(3-ethylphenyl)-1,2-oxazol-5-amine
CID 117281180
6-methyl-5-(5-methyl-1,2-oxazol-4-yl)-1H-pyridin-2-one
CID 89377783
azane;2-ethyl-3-fluoroaniline
CID 68647628
5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine
CID 63692248
4-[5-(4-amino-2,3-diethylphenyl)-1,3,4-oxadiazol-2-yl]-2,3-diethylaniline;2,5-dinaphthalen-1-yl-1,3,4-oxadiazole
CID 135210846
[4-[5-(5-methyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 102707145
3-amino-2-ethylbenzaldehyde
CID 22259616
4-(3-methoxy-2-methylphenyl)-1,2-oxazol-5-amine
CID 117292477

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(5-methyl-1,2-oxazol-4-yl)aniline?
The IUPAC name of 2-ethyl-3-(5-methyl-1,2-oxazol-4-yl)aniline (CID 69176055) is 2-ethyl-3-(5-methyl-1,2-oxazol-4-yl)aniline.
What is the SMILES notation for 2-ethyl-3-(5-methyl-1,2-oxazol-4-yl)aniline?
The canonical SMILES for 2-ethyl-3-(5-methyl-1,2-oxazol-4-yl)aniline is CCc1c(N)cccc1-c1cnoc1C.
What is the InChIKey of 2-ethyl-3-(5-methyl-1,2-oxazol-4-yl)aniline?
The InChIKey is KIGBIMAPXXVCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-3-9-10(5-4-6-12(9)13)11-7-14-15-8(11)2/h4-7H,3,13H2,1-2H3.
What are the key properties of 2-ethyl-3-(5-methyl-1,2-oxazol-4-yl)aniline?
2-ethyl-3-(5-methyl-1,2-oxazol-4-yl)aniline has a molecular weight of 202.26 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(5-methyl-1,2-oxazol-4-yl)aniline is sourced from PubChem (CID 69176055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).