2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3-methoxyphenyl]ethenyl]-5-phenyl-1,3-oxazole

C19H14ClF2NO3 — CID 8814981

IUPAC2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3-methoxyphenyl]ethenyl]-5-phenyl-1,3-oxazole
SMILESCOc1cc(/C=C(\Cl)c2ncc(-c3ccccc3)o2)ccc1OC(F)F
InChIInChI=1S/C19H14ClF2NO3/c1-24-16-10-12(7-8-15(16)26-19(21)22)9-14(20)18-23-11-17(25-18)13-5-3-2-4-6-13/h2-11,19H,1H3/b14-9-
InChIKeyFCCFSEJVNRXNCL-ZROIWOOFSA-N
MW377.77 g/mol
LogP5.69
Rot. Bonds6

About 2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3-methoxyphenyl]ethenyl]-5-phenyl-1,3-oxazole

2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3-methoxyphenyl]ethenyl]-5-phenyl-1,3-oxazole (PubChem CID 8814981) has the molecular formula C19H14ClF2NO3 and a molecular weight of 377.77 g/mol. Its IUPAC name is 2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3-methoxyphenyl]ethenyl]-5-phenyl-1,3-oxazole.

Molecular Properties

Compound Name2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3-methoxyphenyl]ethenyl]-5-phenyl-1,3-oxazole
PubChem CID8814981
Molecular FormulaC19H14ClF2NO3
Molecular Weight377.77 g/mol
Exact Mass377.06
IUPAC Name2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3-methoxyphenyl]ethenyl]-5-phenyl-1,3-oxazole
SMILESCOc1cc(/C=C(\Cl)c2ncc(-c3ccccc3)o2)ccc1OC(F)F
InChIInChI=1S/C19H14ClF2NO3/c1-24-16-10-12(7-8-15(16)26-19(21)22)9-14(20)18-23-11-17(25-18)13-5-3-2-4-6-13/h2-11,19H,1H3/b14-9-
InChIKeyFCCFSEJVNRXNCL-ZROIWOOFSA-N
XLogP5.69
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.77
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(Z)-2-chloro-2-(5-phenyl-1,3-oxazol-2-yl)ethenyl]-2,6-dimethoxyphenol
CID 135573709
2-[(Z)-2-(3,4-dimethoxyphenyl)-1-fluoroethenyl]-5-(4-methoxyphenyl)-1,3-oxazole
CID 102202954
5-(4-chlorophenyl)-2-[(Z)-1-chloro-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazole
CID 9036392
2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3-ethoxyphenyl]ethenyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 9032189
2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3-ethoxyphenyl]ethenyl]-3,1-benzoxazin-4-one
CID 9035275
2-[(Z)-1-chloro-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-5-phenyl-1,3,4-oxadiazole
CID 9447328
2-[(Z)-1-chloro-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]-5-phenyl-1,3,4-oxadiazole
CID 9447353
2-[4-[(Z)-2-chloro-2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethenyl]-2-methoxyphenoxy]acetonitrile
CID 9447355
3-[4-(difluoromethoxy)-3-methoxyphenyl]-2-methylprop-2-en-1-amine
CID 79330049
1-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 87007797
2-(benzenesulfonyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enenitrile
CID 2956256
(Z)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoic acid
CID 2341134

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3-methoxyphenyl]ethenyl]-5-phenyl-1,3-oxazole?
The IUPAC name of 2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3-methoxyphenyl]ethenyl]-5-phenyl-1,3-oxazole (CID 8814981) is 2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3-methoxyphenyl]ethenyl]-5-phenyl-1,3-oxazole.
What is the SMILES notation for 2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3-methoxyphenyl]ethenyl]-5-phenyl-1,3-oxazole?
The canonical SMILES for 2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3-methoxyphenyl]ethenyl]-5-phenyl-1,3-oxazole is COc1cc(/C=C(\Cl)c2ncc(-c3ccccc3)o2)ccc1OC(F)F.
What is the InChIKey of 2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3-methoxyphenyl]ethenyl]-5-phenyl-1,3-oxazole?
The InChIKey is FCCFSEJVNRXNCL-ZROIWOOFSA-N. The full InChI is InChI=1S/C19H14ClF2NO3/c1-24-16-10-12(7-8-15(16)26-19(21)22)9-14(20)18-23-11-17(25-18)13-5-3-2-4-6-13/h2-11,19H,1H3/b14-9-.
What are the key properties of 2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3-methoxyphenyl]ethenyl]-5-phenyl-1,3-oxazole?
2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3-methoxyphenyl]ethenyl]-5-phenyl-1,3-oxazole has a molecular weight of 377.77 g/mol, XLogP of 5.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-chloro-2-[4-(difluoromethoxy)-3-methoxyphenyl]ethenyl]-5-phenyl-1,3-oxazole is sourced from PubChem (CID 8814981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).