3-[3-[3-[3-(morpholine-4-carbonyl)phenyl]phenyl]prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one

C29H26N2O5 — CID 175941549

IUPAC3-[3-[3-[3-(morpholine-4-carbonyl)phenyl]phenyl]prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C(c1cccc(-c2cccc(C=CC(=O)N3C(=O)OCC3c3ccccc3)c2)c1)N1CCOCC1
InChIInChI=1S/C29H26N2O5/c32-27(31-26(20-36-29(31)34)22-7-2-1-3-8-22)13-12-21-6-4-9-23(18-21)24-10-5-11-25(19-24)28(33)30-14-16-35-17-15-30/h1-13,18-19,26H,14-17,20H2
InChIKeyXYULILUGCWKSCH-UHFFFAOYSA-N
MW482.54 g/mol
LogP4.56
Rot. Bonds5

About 3-[3-[3-[3-(morpholine-4-carbonyl)phenyl]phenyl]prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one

3-[3-[3-[3-(morpholine-4-carbonyl)phenyl]phenyl]prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 175941549) has the molecular formula C29H26N2O5 and a molecular weight of 482.54 g/mol. Its IUPAC name is 3-[3-[3-[3-(morpholine-4-carbonyl)phenyl]phenyl]prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-[3-[3-(morpholine-4-carbonyl)phenyl]phenyl]prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID175941549
Molecular FormulaC29H26N2O5
Molecular Weight482.54 g/mol
Exact Mass482.18
IUPAC Name3-[3-[3-[3-(morpholine-4-carbonyl)phenyl]phenyl]prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C(c1cccc(-c2cccc(C=CC(=O)N3C(=O)OCC3c3ccccc3)c2)c1)N1CCOCC1
InChIInChI=1S/C29H26N2O5/c32-27(31-26(20-36-29(31)34)22-7-2-1-3-8-22)13-12-21-6-4-9-23(18-21)24-10-5-11-25(19-24)28(33)30-14-16-35-17-15-30/h1-13,18-19,26H,14-17,20H2
InChIKeyXYULILUGCWKSCH-UHFFFAOYSA-N
XLogP4.56
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4R)-3-[(E)-3-(3-iodophenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 167227898
(4S)-3-[(E)-3-(3-amino-4-iodophenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 12002759
3-[3-(4-fluorophenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 72797044
3-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one;ethane
CID 144871050
(4S)-3-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 170696027
(4R)-4-phenyl-3-[3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one
CID 68991695
3-[3-(1,4-oxazepane-4-carbonyl)phenyl]prop-2-enoic acid
CID 76979165
3-[(E)-3-cyclopropylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 22912437
(4R)-3-[(E)-3-cyclopropylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 10848742
(4S)-3-[(E)-3-(2-chloroquinolin-4-yl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 170696049
3-[(E)-3-(2-phenoxyphenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 175348980
3-[(E)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 6293644

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-[3-(morpholine-4-carbonyl)phenyl]phenyl]prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-[3-[3-(morpholine-4-carbonyl)phenyl]phenyl]prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 175941549) is 3-[3-[3-[3-(morpholine-4-carbonyl)phenyl]phenyl]prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-[3-[3-(morpholine-4-carbonyl)phenyl]phenyl]prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-[3-[3-(morpholine-4-carbonyl)phenyl]phenyl]prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one is O=C(c1cccc(-c2cccc(C=CC(=O)N3C(=O)OCC3c3ccccc3)c2)c1)N1CCOCC1.
What is the InChIKey of 3-[3-[3-[3-(morpholine-4-carbonyl)phenyl]phenyl]prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is XYULILUGCWKSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O5/c32-27(31-26(20-36-29(31)34)22-7-2-1-3-8-22)13-12-21-6-4-9-23(18-21)24-10-5-11-25(19-24)28(33)30-14-16-35-17-15-30/h1-13,18-19,26H,14-17,20H2.
What are the key properties of 3-[3-[3-[3-(morpholine-4-carbonyl)phenyl]phenyl]prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one?
3-[3-[3-[3-(morpholine-4-carbonyl)phenyl]phenyl]prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 482.54 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-[3-(morpholine-4-carbonyl)phenyl]phenyl]prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 175941549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).