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

C18H16ClNO2 — CID 5272633

IUPAC2-[4-(6-chloro-3,4-dihydro-2H-chromen-2-yl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESClc1ccc2c(c1)CCC(c1ccc(C3=NCCO3)cc1)O2
InChIInChI=1S/C18H16ClNO2/c19-15-6-8-17-14(11-15)5-7-16(22-17)12-1-3-13(4-2-12)18-20-9-10-21-18/h1-4,6,8,11,16H,5,7,9-10H2
InChIKeyNDQYRBSFUYXIEW-UHFFFAOYSA-N
MW313.78 g/mol
LogP4.18
Rot. Bonds2

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

2-[4-(6-chloro-3,4-dihydro-2H-chromen-2-yl)phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 5272633) has the molecular formula C18H16ClNO2 and a molecular weight of 313.78 g/mol. Its IUPAC name is 2-[4-(6-chloro-3,4-dihydro-2H-chromen-2-yl)phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[4-(6-chloro-3,4-dihydro-2H-chromen-2-yl)phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID5272633
Molecular FormulaC18H16ClNO2
Molecular Weight313.78 g/mol
Exact Mass313.09
IUPAC Name2-[4-(6-chloro-3,4-dihydro-2H-chromen-2-yl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESClc1ccc2c(c1)CCC(c1ccc(C3=NCCO3)cc1)O2
InChIInChI=1S/C18H16ClNO2/c19-15-6-8-17-14(11-15)5-7-16(22-17)12-1-3-13(4-2-12)18-20-9-10-21-18/h1-4,6,8,11,16H,5,7,9-10H2
InChIKeyNDQYRBSFUYXIEW-UHFFFAOYSA-N
XLogP4.18
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
Benzonitrile, 4-(6-chloro-3,4-dihydro-2H-1-benzopyran-2-yl)-
CID 5272632
(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
2-[2-(4-Chlorophenyl)chroman-6-yl]-4,5-dihydrooxazole
CID 5272634
2-(4-Chroman-2-ylphenyl)-4,5-dihydrooxazole
CID 5272635
2-[4-(6-Chlorochroman-3-yl)phenyl]-4,5-dihydrooxazole
CID 5272642

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-chloro-3,4-dihydro-2H-chromen-2-yl)phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[4-(6-chloro-3,4-dihydro-2H-chromen-2-yl)phenyl]-4,5-dihydro-1,3-oxazole (CID 5272633) is 2-[4-(6-chloro-3,4-dihydro-2H-chromen-2-yl)phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[4-(6-chloro-3,4-dihydro-2H-chromen-2-yl)phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[4-(6-chloro-3,4-dihydro-2H-chromen-2-yl)phenyl]-4,5-dihydro-1,3-oxazole is Clc1ccc2c(c1)CCC(c1ccc(C3=NCCO3)cc1)O2.
What is the InChIKey of 2-[4-(6-chloro-3,4-dihydro-2H-chromen-2-yl)phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is NDQYRBSFUYXIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO2/c19-15-6-8-17-14(11-15)5-7-16(22-17)12-1-3-13(4-2-12)18-20-9-10-21-18/h1-4,6,8,11,16H,5,7,9-10H2.
What are the key properties of 2-[4-(6-chloro-3,4-dihydro-2H-chromen-2-yl)phenyl]-4,5-dihydro-1,3-oxazole?
2-[4-(6-chloro-3,4-dihydro-2H-chromen-2-yl)phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 313.78 g/mol, XLogP of 4.18, 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-3,4-dihydro-2H-chromen-2-yl)phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 5272633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).