4-(3-phenoxyphenyl)-4,5-dihydro-1,3-oxazol-2-amine

C15H14N2O2 — CID 59323836

IUPAC4-(3-phenoxyphenyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=NC(c2cccc(Oc3ccccc3)c2)CO1
InChIInChI=1S/C15H14N2O2/c16-15-17-14(10-18-15)11-5-4-8-13(9-11)19-12-6-2-1-3-7-12/h1-9,14H,10H2,(H2,16,17)
InChIKeyJZQCLAZEGFXKME-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.86
Rot. Bonds3

About 4-(3-phenoxyphenyl)-4,5-dihydro-1,3-oxazol-2-amine

4-(3-phenoxyphenyl)-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 59323836) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-(3-phenoxyphenyl)-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-(3-phenoxyphenyl)-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID59323836
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name4-(3-phenoxyphenyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=NC(c2cccc(Oc3ccccc3)c2)CO1
InChIInChI=1S/C15H14N2O2/c16-15-17-14(10-18-15)11-5-4-8-13(9-11)19-12-6-2-1-3-7-12/h1-9,14H,10H2,(H2,16,17)
InChIKeyJZQCLAZEGFXKME-UHFFFAOYSA-N
XLogP2.86
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-phenoxyphenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of 4-(3-phenoxyphenyl)-4,5-dihydro-1,3-oxazol-2-amine (CID 59323836) is 4-(3-phenoxyphenyl)-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for 4-(3-phenoxyphenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for 4-(3-phenoxyphenyl)-4,5-dihydro-1,3-oxazol-2-amine is NC1=NC(c2cccc(Oc3ccccc3)c2)CO1.
What is the InChIKey of 4-(3-phenoxyphenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is JZQCLAZEGFXKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c16-15-17-14(10-18-15)11-5-4-8-13(9-11)19-12-6-2-1-3-7-12/h1-9,14H,10H2,(H2,16,17).
What are the key properties of 4-(3-phenoxyphenyl)-4,5-dihydro-1,3-oxazol-2-amine?
4-(3-phenoxyphenyl)-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 254.29 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenoxyphenyl)-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 59323836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).