2-[4-(6-chloro-2H-chromen-3-yl)phenyl]-4,5-dihydro-1,3-oxazole

C18H14ClNO2 — CID 5272646

IUPAC2-[4-(6-chloro-2H-chromen-3-yl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESClc1ccc2c(c1)C=C(c1ccc(C3=NCCO3)cc1)CO2
InChIInChI=1S/C18H14ClNO2/c19-16-5-6-17-14(10-16)9-15(11-22-17)12-1-3-13(4-2-12)18-20-7-8-21-18/h1-6,9-10H,7-8,11H2
InChIKeyDUSIULUYCVQXAS-UHFFFAOYSA-N
MW311.77 g/mol
LogP4.05
Rot. Bonds2

About 2-[4-(6-chloro-2H-chromen-3-yl)phenyl]-4,5-dihydro-1,3-oxazole

2-[4-(6-chloro-2H-chromen-3-yl)phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 5272646) has the molecular formula C18H14ClNO2 and a molecular weight of 311.77 g/mol. Its IUPAC name is 2-[4-(6-chloro-2H-chromen-3-yl)phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[4-(6-chloro-2H-chromen-3-yl)phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID5272646
Molecular FormulaC18H14ClNO2
Molecular Weight311.77 g/mol
Exact Mass311.07
IUPAC Name2-[4-(6-chloro-2H-chromen-3-yl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESClc1ccc2c(c1)C=C(c1ccc(C3=NCCO3)cc1)CO2
InChIInChI=1S/C18H14ClNO2/c19-16-5-6-17-14(10-16)9-15(11-22-17)12-1-3-13(4-2-12)18-20-7-8-21-18/h1-6,9-10H,7-8,11H2
InChIKeyDUSIULUYCVQXAS-UHFFFAOYSA-N
XLogP4.05
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-chloro-2-(2-phenylethyl)phenoxy]-N,N-dimethylpropan-1-amine
CID 12852637
N'-(6-Chloro-2-phenyl-4H-chromen-4-ylidene)-N,N-dimethyl-1,2-ethanediamine
CID 733532
6-Oxazolinylisoflavan
CID 189897
6-Chloro-4-(2-oxolan-2-yl-1-azaethylidene)-2-phenylchromene
CID 3253752
3-(6-Chloro-2-phenylchromen-4-ylidene)-3-azapropan-1-ol
CID 3864987
N-[(4E)-6-Chloro-2-phenyl-4H-chromen-4-ylidene]-2-hydroxypropan-1-aminium
CID 4361478
2-(2-benzyl-4-chlorophenoxy)-N,N-dimethylethanamine
CID 43378
(4aS,10bR)-9-chloro-4a-fluoro-5,5-dimethyl-2-phenyl-4,10b-dihydrochromeno[3,4-e][1,3]oxazine
CID 154714288
N-(6-Chloro-2-phenyl-4H-chromen-4-ylidene)-2-methoxyethanamine
CID 1646175
2-[(6-Chloro-2-phenyl-4H-chromen-4-ylidene)amino]ethanol
CID 1631215
4-[[4-(3-Chlorophenyl)phenoxy]methyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 15279927
4-[2-(4-Chlorophenoxy)ethyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 19041170

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-chloro-2H-chromen-3-yl)phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[4-(6-chloro-2H-chromen-3-yl)phenyl]-4,5-dihydro-1,3-oxazole (CID 5272646) is 2-[4-(6-chloro-2H-chromen-3-yl)phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[4-(6-chloro-2H-chromen-3-yl)phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[4-(6-chloro-2H-chromen-3-yl)phenyl]-4,5-dihydro-1,3-oxazole is Clc1ccc2c(c1)C=C(c1ccc(C3=NCCO3)cc1)CO2.
What is the InChIKey of 2-[4-(6-chloro-2H-chromen-3-yl)phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is DUSIULUYCVQXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO2/c19-16-5-6-17-14(10-16)9-15(11-22-17)12-1-3-13(4-2-12)18-20-7-8-21-18/h1-6,9-10H,7-8,11H2.
What are the key properties of 2-[4-(6-chloro-2H-chromen-3-yl)phenyl]-4,5-dihydro-1,3-oxazole?
2-[4-(6-chloro-2H-chromen-3-yl)phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 311.77 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-chloro-2H-chromen-3-yl)phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 5272646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).