2-[3-chloro-5-(3,3-dichloroprop-2-enoxy)-2-methoxyphenyl]-4,5-dihydro-1,3-oxazole

C13H12Cl3NO3 — CID 141105448

IUPAC2-[3-chloro-5-(3,3-dichloroprop-2-enoxy)-2-methoxyphenyl]-4,5-dihydro-1,3-oxazole
SMILESCOc1c(Cl)cc(OCC=C(Cl)Cl)cc1C1=NCCO1
InChIInChI=1S/C13H12Cl3NO3/c1-18-12-9(13-17-3-5-20-13)6-8(7-10(12)14)19-4-2-11(15)16/h2,6-7H,3-5H2,1H3
InChIKeyLCCYDXRZOUCQCR-UHFFFAOYSA-N
MW336.60 g/mol
LogP3.82
Rot. Bonds5

About 2-[3-chloro-5-(3,3-dichloroprop-2-enoxy)-2-methoxyphenyl]-4,5-dihydro-1,3-oxazole

2-[3-chloro-5-(3,3-dichloroprop-2-enoxy)-2-methoxyphenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 141105448) has the molecular formula C13H12Cl3NO3 and a molecular weight of 336.60 g/mol. Its IUPAC name is 2-[3-chloro-5-(3,3-dichloroprop-2-enoxy)-2-methoxyphenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[3-chloro-5-(3,3-dichloroprop-2-enoxy)-2-methoxyphenyl]-4,5-dihydro-1,3-oxazole
PubChem CID141105448
Molecular FormulaC13H12Cl3NO3
Molecular Weight336.60 g/mol
Exact Mass334.99
IUPAC Name2-[3-chloro-5-(3,3-dichloroprop-2-enoxy)-2-methoxyphenyl]-4,5-dihydro-1,3-oxazole
SMILESCOc1c(Cl)cc(OCC=C(Cl)Cl)cc1C1=NCCO1
InChIInChI=1S/C13H12Cl3NO3/c1-18-12-9(13-17-3-5-20-13)6-8(7-10(12)14)19-4-2-11(15)16/h2,6-7H,3-5H2,1H3
InChIKeyLCCYDXRZOUCQCR-UHFFFAOYSA-N
XLogP3.82
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.60
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-methoxybenzene
CID 18725396
2-[5,5-bis[3-chloro-5-(4,5-dihydro-1,3-oxazol-2-yl)-4-methoxyphenyl]pent-4-enyl]-4,5-dihydro-1,3-oxazole
CID 59116728
2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenol
CID 11346738
[4-[3-[3-[3-chloro-5-(3,3-dichloroprop-2-enoxy)-2-methoxyphenyl]-4,5-dihydro-1,2-oxazol-5-yl]propoxy]phenyl]methanimine
CID 89207941
1-bromo-5-(3,3-dichloroprop-2-enoxy)-2-methoxy-3-(trifluoromethyl)benzene
CID 18725418
2,3,5-trichloro-6-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]pyridine
CID 141278423
N-[3-[2-bromo-6-chloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]propan-2-imine
CID 22963515
2-[[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]methyl]-3,5-dimethyl-3H-1,2-oxazole
CID 139724918
1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-phenylmethoxybenzene
CID 54079745
5-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]pentan-1-amine
CID 22006786
methyl N-[4-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]butyl]carbamate
CID 19356488
O-[4-[2-chloro-4-(3,3-dichloroprop-2-enoxy)-6-methylphenoxy]butyl]hydroxylamine
CID 18429754

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(3,3-dichloroprop-2-enoxy)-2-methoxyphenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[3-chloro-5-(3,3-dichloroprop-2-enoxy)-2-methoxyphenyl]-4,5-dihydro-1,3-oxazole (CID 141105448) is 2-[3-chloro-5-(3,3-dichloroprop-2-enoxy)-2-methoxyphenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[3-chloro-5-(3,3-dichloroprop-2-enoxy)-2-methoxyphenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[3-chloro-5-(3,3-dichloroprop-2-enoxy)-2-methoxyphenyl]-4,5-dihydro-1,3-oxazole is COc1c(Cl)cc(OCC=C(Cl)Cl)cc1C1=NCCO1.
What is the InChIKey of 2-[3-chloro-5-(3,3-dichloroprop-2-enoxy)-2-methoxyphenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is LCCYDXRZOUCQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl3NO3/c1-18-12-9(13-17-3-5-20-13)6-8(7-10(12)14)19-4-2-11(15)16/h2,6-7H,3-5H2,1H3.
What are the key properties of 2-[3-chloro-5-(3,3-dichloroprop-2-enoxy)-2-methoxyphenyl]-4,5-dihydro-1,3-oxazole?
2-[3-chloro-5-(3,3-dichloroprop-2-enoxy)-2-methoxyphenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 336.60 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-(3,3-dichloroprop-2-enoxy)-2-methoxyphenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 141105448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).