3-(2-propyl-1,3-oxazol-5-yl)aniline

C12H14N2O — CID 154683063

IUPAC3-(2-propyl-1,3-oxazol-5-yl)aniline
SMILESCCCc1ncc(-c2cccc(N)c2)o1
InChIInChI=1S/C12H14N2O/c1-2-4-12-14-8-11(15-12)9-5-3-6-10(13)7-9/h3,5-8H,2,4,13H2,1H3
InChIKeyCTVVDAARUQMHOV-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.88
Rot. Bonds3

About 3-(2-propyl-1,3-oxazol-5-yl)aniline

3-(2-propyl-1,3-oxazol-5-yl)aniline (PubChem CID 154683063) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-(2-propyl-1,3-oxazol-5-yl)aniline.

Molecular Properties

Compound Name3-(2-propyl-1,3-oxazol-5-yl)aniline
PubChem CID154683063
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name3-(2-propyl-1,3-oxazol-5-yl)aniline
SMILESCCCc1ncc(-c2cccc(N)c2)o1
InChIInChI=1S/C12H14N2O/c1-2-4-12-14-8-11(15-12)9-5-3-6-10(13)7-9/h3,5-8H,2,4,13H2,1H3
InChIKeyCTVVDAARUQMHOV-UHFFFAOYSA-N
XLogP2.88
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.88
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

3-(2-methoxy-1,3-oxazol-5-yl)aniline
CID 154683552
N-ethyl-2-[5-(3-methylphenyl)-1,3-oxazol-2-yl]ethanamine
CID 65183399
2-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 65183004
3-(5-propyl-1H-imidazol-2-yl)aniline
CID 116877695
3-[5-(3-iodophenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 65187027
3-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65179138
N-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 54516373
3-[2-(4-fluorophenyl)-1,3-oxazol-5-yl]aniline
CID 100802212
N-[2-[5-(3-nitrophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65182866
3-[5-(4-propylphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 93186337
N-[2-[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65183365
3-[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65179148

Frequently Asked Questions

What is the IUPAC name of 3-(2-propyl-1,3-oxazol-5-yl)aniline?
The IUPAC name of 3-(2-propyl-1,3-oxazol-5-yl)aniline (CID 154683063) is 3-(2-propyl-1,3-oxazol-5-yl)aniline.
What is the SMILES notation for 3-(2-propyl-1,3-oxazol-5-yl)aniline?
The canonical SMILES for 3-(2-propyl-1,3-oxazol-5-yl)aniline is CCCc1ncc(-c2cccc(N)c2)o1.
What is the InChIKey of 3-(2-propyl-1,3-oxazol-5-yl)aniline?
The InChIKey is CTVVDAARUQMHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-2-4-12-14-8-11(15-12)9-5-3-6-10(13)7-9/h3,5-8H,2,4,13H2,1H3.
What are the key properties of 3-(2-propyl-1,3-oxazol-5-yl)aniline?
3-(2-propyl-1,3-oxazol-5-yl)aniline has a molecular weight of 202.26 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propyl-1,3-oxazol-5-yl)aniline is sourced from PubChem (CID 154683063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).