4-[4-(2-oxo-5-prop-1-en-2-yl-1,3-oxazol-3-yl)phenyl]morpholin-3-one

C16H16N2O4 — CID 174859010

IUPAC4-[4-(2-oxo-5-prop-1-en-2-yl-1,3-oxazol-3-yl)phenyl]morpholin-3-one
SMILESC=C(C)c1cn(-c2ccc(N3CCOCC3=O)cc2)c(=O)o1
InChIInChI=1S/C16H16N2O4/c1-11(2)14-9-18(16(20)22-14)13-5-3-12(4-6-13)17-7-8-21-10-15(17)19/h3-6,9H,1,7-8,10H2,2H3
InChIKeyBHTABMHCRWDJMQ-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.83
Rot. Bonds3

About 4-[4-(2-oxo-5-prop-1-en-2-yl-1,3-oxazol-3-yl)phenyl]morpholin-3-one

4-[4-(2-oxo-5-prop-1-en-2-yl-1,3-oxazol-3-yl)phenyl]morpholin-3-one (PubChem CID 174859010) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 4-[4-(2-oxo-5-prop-1-en-2-yl-1,3-oxazol-3-yl)phenyl]morpholin-3-one.

Molecular Properties

Compound Name4-[4-(2-oxo-5-prop-1-en-2-yl-1,3-oxazol-3-yl)phenyl]morpholin-3-one
PubChem CID174859010
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name4-[4-(2-oxo-5-prop-1-en-2-yl-1,3-oxazol-3-yl)phenyl]morpholin-3-one
SMILESC=C(C)c1cn(-c2ccc(N3CCOCC3=O)cc2)c(=O)o1
InChIInChI=1S/C16H16N2O4/c1-11(2)14-9-18(16(20)22-14)13-5-3-12(4-6-13)17-7-8-21-10-15(17)19/h3-6,9H,1,7-8,10H2,2H3
InChIKeyBHTABMHCRWDJMQ-UHFFFAOYSA-N
XLogP1.83
TPSA64.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(propan-2-ylamino)phenyl]morpholin-3-one
CID 70327069
4-[4-(hydroxymethylamino)phenyl]morpholin-3-one
CID 70327805
methyl-methylidene-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyloxymethyl]phosphanium
CID 123669278
7,16-diphenyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-6,17-dione
CID 12887277
4-(4-ethynylphenyl)morpholin-3-one
CID 119094616
4-[4-[(3R)-4-amino-3-hydroxybutyl]phenyl]morpholin-3-one
CID 152799530
4-(3-acetyl-4-aminophenyl)morpholin-3-one
CID 53417687
5-chloro-3-[[2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazol-5-yl]methyl]thiophene-2-carboxamide
CID 175885019
4-[3-(2-methylprop-2-enoxy)phenyl]morpholin-3-one
CID 165482189
4-[4-(3-hydroxypropylamino)phenyl]morpholin-3-one
CID 163448135
N-[4-[[4-(3-oxomorpholin-4-yl)phenyl]sulfamoyl]phenyl]acetamide
CID 110363646
4-[4-[[(2S)-2-hydroxybutyl]amino]phenyl]morpholin-3-one
CID 59515485

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-oxo-5-prop-1-en-2-yl-1,3-oxazol-3-yl)phenyl]morpholin-3-one?
The IUPAC name of 4-[4-(2-oxo-5-prop-1-en-2-yl-1,3-oxazol-3-yl)phenyl]morpholin-3-one (CID 174859010) is 4-[4-(2-oxo-5-prop-1-en-2-yl-1,3-oxazol-3-yl)phenyl]morpholin-3-one.
What is the SMILES notation for 4-[4-(2-oxo-5-prop-1-en-2-yl-1,3-oxazol-3-yl)phenyl]morpholin-3-one?
The canonical SMILES for 4-[4-(2-oxo-5-prop-1-en-2-yl-1,3-oxazol-3-yl)phenyl]morpholin-3-one is C=C(C)c1cn(-c2ccc(N3CCOCC3=O)cc2)c(=O)o1.
What is the InChIKey of 4-[4-(2-oxo-5-prop-1-en-2-yl-1,3-oxazol-3-yl)phenyl]morpholin-3-one?
The InChIKey is BHTABMHCRWDJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-11(2)14-9-18(16(20)22-14)13-5-3-12(4-6-13)17-7-8-21-10-15(17)19/h3-6,9H,1,7-8,10H2,2H3.
What are the key properties of 4-[4-(2-oxo-5-prop-1-en-2-yl-1,3-oxazol-3-yl)phenyl]morpholin-3-one?
4-[4-(2-oxo-5-prop-1-en-2-yl-1,3-oxazol-3-yl)phenyl]morpholin-3-one has a molecular weight of 300.31 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-oxo-5-prop-1-en-2-yl-1,3-oxazol-3-yl)phenyl]morpholin-3-one is sourced from PubChem (CID 174859010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).