[5-(4-methylphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone

C15H16N2O3 — CID 1093793

IUPAC[5-(4-methylphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(-c2cc(C(=O)N3CCOCC3)no2)cc1
InChIInChI=1S/C15H16N2O3/c1-11-2-4-12(5-3-11)14-10-13(16-20-14)15(18)17-6-8-19-9-7-17/h2-5,10H,6-9H2,1H3
InChIKeyWUTTVWVSFZNBJA-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.12
Rot. Bonds2

About [5-(4-methylphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone

[5-(4-methylphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 1093793) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is [5-(4-methylphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-(4-methylphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
PubChem CID1093793
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name[5-(4-methylphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(-c2cc(C(=O)N3CCOCC3)no2)cc1
InChIInChI=1S/C15H16N2O3/c1-11-2-4-12(5-3-11)14-10-13(16-20-14)15(18)17-6-8-19-9-7-17/h2-5,10H,6-9H2,1H3
InChIKeyWUTTVWVSFZNBJA-UHFFFAOYSA-N
XLogP2.12
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(4-methylphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-(4-methylphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone (CID 1093793) is [5-(4-methylphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-(4-methylphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-(4-methylphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone is Cc1ccc(-c2cc(C(=O)N3CCOCC3)no2)cc1.
What is the InChIKey of [5-(4-methylphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is WUTTVWVSFZNBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-11-2-4-12(5-3-11)14-10-13(16-20-14)15(18)17-6-8-19-9-7-17/h2-5,10H,6-9H2,1H3.
What are the key properties of [5-(4-methylphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
[5-(4-methylphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 272.30 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methylphenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 1093793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).