3-[(Z)-1-(3-chlorophenyl)-4-phenylbut-1-en-3-yn-2-yl]-1,3-oxazolidin-2-one

C19H14ClNO2 — CID 122388161

IUPAC3-[(Z)-1-(3-chlorophenyl)-4-phenylbut-1-en-3-yn-2-yl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1/C(C#Cc1ccccc1)=C\c1cccc(Cl)c1
InChIInChI=1S/C19H14ClNO2/c20-17-8-4-7-16(13-17)14-18(21-11-12-23-19(21)22)10-9-15-5-2-1-3-6-15/h1-8,13-14H,11-12H2/b18-14-
InChIKeyHHDSMRMLQVWVQN-JXAWBTAJSA-N
MW323.78 g/mol
LogP4.18
Rot. Bonds2

About 3-[(Z)-1-(3-chlorophenyl)-4-phenylbut-1-en-3-yn-2-yl]-1,3-oxazolidin-2-one

3-[(Z)-1-(3-chlorophenyl)-4-phenylbut-1-en-3-yn-2-yl]-1,3-oxazolidin-2-one (PubChem CID 122388161) has the molecular formula C19H14ClNO2 and a molecular weight of 323.78 g/mol. Its IUPAC name is 3-[(Z)-1-(3-chlorophenyl)-4-phenylbut-1-en-3-yn-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(Z)-1-(3-chlorophenyl)-4-phenylbut-1-en-3-yn-2-yl]-1,3-oxazolidin-2-one
PubChem CID122388161
Molecular FormulaC19H14ClNO2
Molecular Weight323.78 g/mol
Exact Mass323.07
IUPAC Name3-[(Z)-1-(3-chlorophenyl)-4-phenylbut-1-en-3-yn-2-yl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1/C(C#Cc1ccccc1)=C\c1cccc(Cl)c1
InChIInChI=1S/C19H14ClNO2/c20-17-8-4-7-16(13-17)14-18(21-11-12-23-19(21)22)10-9-15-5-2-1-3-6-15/h1-8,13-14H,11-12H2/b18-14-
InChIKeyHHDSMRMLQVWVQN-JXAWBTAJSA-N
XLogP4.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-phenylprop-2-ynoyl)-1,3-oxazolidin-2-one
CID 10560618
3-[(E)-1-iodo-2-phenylethenyl]-1,3-oxazolidin-2-one
CID 78210230
3-[(Z)-1-fluoro-2-phenylethenyl]-1,3-oxazolidin-2-one
CID 132965775
(4R)-3-[(Z)-1,4-diphenylbut-1-en-3-yn-2-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 122388165
(E)-3-(3-chlorophenyl)-2-phenylprop-2-enal
CID 82117781
1-[(E)-2-(3-chlorophenyl)-1-phenylethenyl]-4-methylpiperazine
CID 46231353
3-phenylprop-2-ynyl (E)-3-(3-chlorophenyl)prop-2-enoate
CID 52666175
2-[(E)-2-(3-chlorophenyl)-1-piperidin-1-ylethenyl]sulfanylacetic acid
CID 125180547
(2Z,3Z)-2,3-bis[(3-chlorophenyl)methylidene]butanedial
CID 11370939
(Z)-3-(3-chlorophenyl)-2-fluoroprop-2-enoic acid
CID 122235656
3-[(3S,4R)-5-(3-chlorophenyl)-4-ethyl-2-phenyl-3,4-dihydropyrazole-3-carbonyl]-1,3-oxazolidin-2-one
CID 25011038
(2Z)-2-[(3-chlorophenyl)methylidene]-1-phenylbutane-1,3-dione
CID 5388570

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-1-(3-chlorophenyl)-4-phenylbut-1-en-3-yn-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(Z)-1-(3-chlorophenyl)-4-phenylbut-1-en-3-yn-2-yl]-1,3-oxazolidin-2-one (CID 122388161) is 3-[(Z)-1-(3-chlorophenyl)-4-phenylbut-1-en-3-yn-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(Z)-1-(3-chlorophenyl)-4-phenylbut-1-en-3-yn-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(Z)-1-(3-chlorophenyl)-4-phenylbut-1-en-3-yn-2-yl]-1,3-oxazolidin-2-one is O=C1OCCN1/C(C#Cc1ccccc1)=C\c1cccc(Cl)c1.
What is the InChIKey of 3-[(Z)-1-(3-chlorophenyl)-4-phenylbut-1-en-3-yn-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is HHDSMRMLQVWVQN-JXAWBTAJSA-N. The full InChI is InChI=1S/C19H14ClNO2/c20-17-8-4-7-16(13-17)14-18(21-11-12-23-19(21)22)10-9-15-5-2-1-3-6-15/h1-8,13-14H,11-12H2/b18-14-.
What are the key properties of 3-[(Z)-1-(3-chlorophenyl)-4-phenylbut-1-en-3-yn-2-yl]-1,3-oxazolidin-2-one?
3-[(Z)-1-(3-chlorophenyl)-4-phenylbut-1-en-3-yn-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 323.78 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-1-(3-chlorophenyl)-4-phenylbut-1-en-3-yn-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 122388161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).