4-(4-methylphenyl)-5-(oxan-4-yl)-1,2-oxazol-3-amine

C15H18N2O2 — CID 66200869

IUPAC4-(4-methylphenyl)-5-(oxan-4-yl)-1,2-oxazol-3-amine
SMILESCc1ccc(-c2c(N)noc2C2CCOCC2)cc1
InChIInChI=1S/C15H18N2O2/c1-10-2-4-11(5-3-10)13-14(19-17-15(13)16)12-6-8-18-9-7-12/h2-5,12H,6-9H2,1H3,(H2,16,17)
InChIKeyAJURJCRHPKVUDR-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.13
Rot. Bonds2

About 4-(4-methylphenyl)-5-(oxan-4-yl)-1,2-oxazol-3-amine

4-(4-methylphenyl)-5-(oxan-4-yl)-1,2-oxazol-3-amine (PubChem CID 66200869) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-(4-methylphenyl)-5-(oxan-4-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(4-methylphenyl)-5-(oxan-4-yl)-1,2-oxazol-3-amine
PubChem CID66200869
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name4-(4-methylphenyl)-5-(oxan-4-yl)-1,2-oxazol-3-amine
SMILESCc1ccc(-c2c(N)noc2C2CCOCC2)cc1
InChIInChI=1S/C15H18N2O2/c1-10-2-4-11(5-3-10)13-14(19-17-15(13)16)12-6-8-18-9-7-12/h2-5,12H,6-9H2,1H3,(H2,16,17)
InChIKeyAJURJCRHPKVUDR-UHFFFAOYSA-N
XLogP3.13
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-5-(oxan-4-yl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(4-methylphenyl)-5-(oxan-4-yl)-1,2-oxazol-3-amine (CID 66200869) is 4-(4-methylphenyl)-5-(oxan-4-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(4-methylphenyl)-5-(oxan-4-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(4-methylphenyl)-5-(oxan-4-yl)-1,2-oxazol-3-amine is Cc1ccc(-c2c(N)noc2C2CCOCC2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-5-(oxan-4-yl)-1,2-oxazol-3-amine?
The InChIKey is AJURJCRHPKVUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10-2-4-11(5-3-10)13-14(19-17-15(13)16)12-6-8-18-9-7-12/h2-5,12H,6-9H2,1H3,(H2,16,17).
What are the key properties of 4-(4-methylphenyl)-5-(oxan-4-yl)-1,2-oxazol-3-amine?
4-(4-methylphenyl)-5-(oxan-4-yl)-1,2-oxazol-3-amine has a molecular weight of 258.32 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-5-(oxan-4-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66200869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).