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

C15H18N2O4 — CID 3237549

IUPAC[3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone
SMILESCOc1cccc(C2=NOC(C(=O)N3CCOCC3)C2)c1
InChIInChI=1S/C15H18N2O4/c1-19-12-4-2-3-11(9-12)13-10-14(21-16-13)15(18)17-5-7-20-8-6-17/h2-4,9,14H,5-8,10H2,1H3
InChIKeyBIYQIRBZPDLSDZ-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.05
Rot. Bonds3

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

[3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone (PubChem CID 3237549) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is [3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone
PubChem CID3237549
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name[3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone
SMILESCOc1cccc(C2=NOC(C(=O)N3CCOCC3)C2)c1
InChIInChI=1S/C15H18N2O4/c1-19-12-4-2-3-11(9-12)13-10-14(21-16-13)15(18)17-5-7-20-8-6-17/h2-4,9,14H,5-8,10H2,1H3
InChIKeyBIYQIRBZPDLSDZ-UHFFFAOYSA-N
XLogP1.05
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone (CID 3237549) is [3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone is COc1cccc(C2=NOC(C(=O)N3CCOCC3)C2)c1.
What is the InChIKey of [3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is BIYQIRBZPDLSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-19-12-4-2-3-11(9-12)13-10-14(21-16-13)15(18)17-5-7-20-8-6-17/h2-4,9,14H,5-8,10H2,1H3.
What are the key properties of [3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone?
[3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 290.32 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 3237549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).