(2-amino-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl)-(4-methylphenyl)methanone

C17H16N2O2 — CID 6456490

IUPAC(2-amino-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2N=C(N)OC2c2ccccc2)cc1
InChIInChI=1S/C17H16N2O2/c1-11-7-9-12(10-8-11)15(20)14-16(21-17(18)19-14)13-5-3-2-4-6-13/h2-10,14,16H,1H3,(H2,18,19)
InChIKeyZVFNZNKNGPKDAP-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.63
Rot. Bonds3

About (2-amino-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl)-(4-methylphenyl)methanone

(2-amino-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl)-(4-methylphenyl)methanone (PubChem CID 6456490) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is (2-amino-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(2-amino-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl)-(4-methylphenyl)methanone
PubChem CID6456490
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name(2-amino-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2N=C(N)OC2c2ccccc2)cc1
InChIInChI=1S/C17H16N2O2/c1-11-7-9-12(10-8-11)15(20)14-16(21-17(18)19-14)13-5-3-2-4-6-13/h2-10,14,16H,1H3,(H2,18,19)
InChIKeyZVFNZNKNGPKDAP-UHFFFAOYSA-N
XLogP2.63
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-amino-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl)-(4-methylphenyl)methanone?
The IUPAC name of (2-amino-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl)-(4-methylphenyl)methanone (CID 6456490) is (2-amino-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (2-amino-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (2-amino-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl)-(4-methylphenyl)methanone is Cc1ccc(C(=O)C2N=C(N)OC2c2ccccc2)cc1.
What is the InChIKey of (2-amino-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl)-(4-methylphenyl)methanone?
The InChIKey is ZVFNZNKNGPKDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11-7-9-12(10-8-11)15(20)14-16(21-17(18)19-14)13-5-3-2-4-6-13/h2-10,14,16H,1H3,(H2,18,19).
What are the key properties of (2-amino-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl)-(4-methylphenyl)methanone?
(2-amino-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl)-(4-methylphenyl)methanone has a molecular weight of 280.33 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl)-(4-methylphenyl)methanone is sourced from PubChem (CID 6456490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).