4-(4-butoxyphenyl)-1,3-oxazol-2-amine

C13H16N2O2 — CID 95448867

IUPAC4-(4-butoxyphenyl)-1,3-oxazol-2-amine
SMILESCCCCOc1ccc(-c2coc(N)n2)cc1
InChIInChI=1S/C13H16N2O2/c1-2-3-8-16-11-6-4-10(5-7-11)12-9-17-13(14)15-12/h4-7,9H,2-3,8H2,1H3,(H2,14,15)
InChIKeyNTSNHZHQZWXSJI-UHFFFAOYSA-N
MW232.28 g/mol
LogP3.10
Rot. Bonds5

About 4-(4-butoxyphenyl)-1,3-oxazol-2-amine

4-(4-butoxyphenyl)-1,3-oxazol-2-amine (PubChem CID 95448867) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-(4-butoxyphenyl)-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-(4-butoxyphenyl)-1,3-oxazol-2-amine
PubChem CID95448867
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name4-(4-butoxyphenyl)-1,3-oxazol-2-amine
SMILESCCCCOc1ccc(-c2coc(N)n2)cc1
InChIInChI=1S/C13H16N2O2/c1-2-3-8-16-11-6-4-10(5-7-11)12-9-17-13(14)15-12/h4-7,9H,2-3,8H2,1H3,(H2,14,15)
InChIKeyNTSNHZHQZWXSJI-UHFFFAOYSA-N
XLogP3.10
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-ethoxyphenyl)-1,3-oxazol-2-amine
CID 62065908
4-[4-(2-methoxyethoxy)phenyl]-1,3-oxazol-2-amine
CID 95450329
4-(4-butoxyphenyl)-2,6-dipyridin-4-ylpyridine
CID 139195352
2,5-bis(4-hexoxyphenyl)pyrazine
CID 86183417
3,6-bis(4-decoxyphenyl)pyridazine
CID 101171713
2-(4-butoxyphenyl)-1,3-oxazole
CID 69161830
2-(4-butoxyphenyl)quinolin-4-amine
CID 95493431
5-(4-dodecoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 102420099
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
2-(4-butoxyphenyl)pyrazine
CID 11345209
5-amino-3-(4-butoxyphenyl)-1H-pyridazin-6-one
CID 82467525

Frequently Asked Questions

What is the IUPAC name of 4-(4-butoxyphenyl)-1,3-oxazol-2-amine?
The IUPAC name of 4-(4-butoxyphenyl)-1,3-oxazol-2-amine (CID 95448867) is 4-(4-butoxyphenyl)-1,3-oxazol-2-amine.
What is the SMILES notation for 4-(4-butoxyphenyl)-1,3-oxazol-2-amine?
The canonical SMILES for 4-(4-butoxyphenyl)-1,3-oxazol-2-amine is CCCCOc1ccc(-c2coc(N)n2)cc1.
What is the InChIKey of 4-(4-butoxyphenyl)-1,3-oxazol-2-amine?
The InChIKey is NTSNHZHQZWXSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-2-3-8-16-11-6-4-10(5-7-11)12-9-17-13(14)15-12/h4-7,9H,2-3,8H2,1H3,(H2,14,15).
What are the key properties of 4-(4-butoxyphenyl)-1,3-oxazol-2-amine?
4-(4-butoxyphenyl)-1,3-oxazol-2-amine has a molecular weight of 232.28 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butoxyphenyl)-1,3-oxazol-2-amine is sourced from PubChem (CID 95448867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).