4-ethyl-N-(1,2-oxazol-4-ylmethyl)aniline

C12H14N2O — CID 60870947

IUPAC4-ethyl-N-(1,2-oxazol-4-ylmethyl)aniline
SMILESCCc1ccc(NCc2cnoc2)cc1
InChIInChI=1S/C12H14N2O/c1-2-10-3-5-12(6-4-10)13-7-11-8-14-15-9-11/h3-6,8-9,13H,2,7H2,1H3
InChIKeyZGLCMPBMFHUMMV-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.85
Rot. Bonds4

About 4-ethyl-N-(1,2-oxazol-4-ylmethyl)aniline

4-ethyl-N-(1,2-oxazol-4-ylmethyl)aniline (PubChem CID 60870947) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 4-ethyl-N-(1,2-oxazol-4-ylmethyl)aniline.

Molecular Properties

Compound Name4-ethyl-N-(1,2-oxazol-4-ylmethyl)aniline
PubChem CID60870947
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name4-ethyl-N-(1,2-oxazol-4-ylmethyl)aniline
SMILESCCc1ccc(NCc2cnoc2)cc1
InChIInChI=1S/C12H14N2O/c1-2-10-3-5-12(6-4-10)13-7-11-8-14-15-9-11/h3-6,8-9,13H,2,7H2,1H3
InChIKeyZGLCMPBMFHUMMV-UHFFFAOYSA-N
XLogP2.85
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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4-[(4-ethylphenyl)methylamino]benzenesulfonamide
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2-[4-[(4-ethylphenyl)methylamino]phenyl]acetamide
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4-ethyl-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
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N-[4-[(4-ethylanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide
CID 70938934
2,6-ditert-butyl-4-[(4-ethylanilino)methyl]phenol
CID 71376111
N-[(4-ethylphenyl)methyl]-1H-indazol-5-amine
CID 43690856
N-[(4-ethylphenyl)methyl]-1H-indazol-6-amine
CID 43743407
4-ethyl-N-[(3-methyl-2-pyridinyl)methyl]aniline
CID 112650022
2-methyl-2-(1,2-oxazol-4-ylmethylamino)propanamide
CID 61220569

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(1,2-oxazol-4-ylmethyl)aniline?
The IUPAC name of 4-ethyl-N-(1,2-oxazol-4-ylmethyl)aniline (CID 60870947) is 4-ethyl-N-(1,2-oxazol-4-ylmethyl)aniline.
What is the SMILES notation for 4-ethyl-N-(1,2-oxazol-4-ylmethyl)aniline?
The canonical SMILES for 4-ethyl-N-(1,2-oxazol-4-ylmethyl)aniline is CCc1ccc(NCc2cnoc2)cc1.
What is the InChIKey of 4-ethyl-N-(1,2-oxazol-4-ylmethyl)aniline?
The InChIKey is ZGLCMPBMFHUMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-2-10-3-5-12(6-4-10)13-7-11-8-14-15-9-11/h3-6,8-9,13H,2,7H2,1H3.
What are the key properties of 4-ethyl-N-(1,2-oxazol-4-ylmethyl)aniline?
4-ethyl-N-(1,2-oxazol-4-ylmethyl)aniline has a molecular weight of 202.26 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(1,2-oxazol-4-ylmethyl)aniline is sourced from PubChem (CID 60870947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).