[2-chloro-4-(difluoromethoxy)phenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone

C14H10ClF2NO3 — CID 54224083

IUPAC[2-chloro-4-(difluoromethoxy)phenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
SMILESO=C(c1ccc(OC(F)F)cc1Cl)c1cnoc1C1CC1
InChIInChI=1S/C14H10ClF2NO3/c15-11-5-8(20-14(16)17)3-4-9(11)12(19)10-6-18-21-13(10)7-1-2-7/h3-7,14H,1-2H2
InChIKeyQEQKAUGVONXMLO-UHFFFAOYSA-N
MW313.69 g/mol
LogP4.04
Rot. Bonds5

About [2-chloro-4-(difluoromethoxy)phenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone

[2-chloro-4-(difluoromethoxy)phenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone (PubChem CID 54224083) has the molecular formula C14H10ClF2NO3 and a molecular weight of 313.69 g/mol. Its IUPAC name is [2-chloro-4-(difluoromethoxy)phenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[2-chloro-4-(difluoromethoxy)phenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
PubChem CID54224083
Molecular FormulaC14H10ClF2NO3
Molecular Weight313.69 g/mol
Exact Mass313.03
IUPAC Name[2-chloro-4-(difluoromethoxy)phenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
SMILESO=C(c1ccc(OC(F)F)cc1Cl)c1cnoc1C1CC1
InChIInChI=1S/C14H10ClF2NO3/c15-11-5-8(20-14(16)17)3-4-9(11)12(19)10-6-18-21-13(10)7-1-2-7/h3-7,14H,1-2H2
InChIKeyQEQKAUGVONXMLO-UHFFFAOYSA-N
XLogP4.04
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.69
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-chloro-4-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]ethyl-oxosulfanium
CID 174270872
[4-chloro-3-methylsulfonyl-2-(trifluoromethyl)phenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
CID 54128440
(5-cyclopropyl-1,2-oxazol-4-yl)-(5-methoxy-2-pyridinyl)methanone
CID 18996909
propan-2-yl 6-chloro-3-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2-methylsulfanylbenzoate
CID 54427215
[2-chloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-3-(trifluoromethyl)phenyl]methanesulfinic acid
CID 174312689
[4-chloro-2-(3-chlorophenyl)sulfanylphenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
CID 18953307
[4-chloro-3-methylsulfinyl-2-(2,2,2-trifluoroethoxy)phenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
CID 54473088
5-cyclopropyl-1,2-oxazole-4-carbonyl chloride
CID 14819893
[2-[(4-chlorophenyl)methyl]-4-fluorophenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
CID 67718573
[2-chloro-4-methylsulfanyl-3-(methylsulfanylmethyl)phenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
CID 18950261
(5-cyclopropyl-1,2-oxazol-4-yl)-[3,4-dichloro-2-(ethylsulfanylmethyl)phenyl]methanone
CID 18950244
[3-chloro-6-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-2-methoxycarbonylphenyl]methanesulfinic acid
CID 174312687

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-(difluoromethoxy)phenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [2-chloro-4-(difluoromethoxy)phenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone (CID 54224083) is [2-chloro-4-(difluoromethoxy)phenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [2-chloro-4-(difluoromethoxy)phenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [2-chloro-4-(difluoromethoxy)phenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone is O=C(c1ccc(OC(F)F)cc1Cl)c1cnoc1C1CC1.
What is the InChIKey of [2-chloro-4-(difluoromethoxy)phenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone?
The InChIKey is QEQKAUGVONXMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2NO3/c15-11-5-8(20-14(16)17)3-4-9(11)12(19)10-6-18-21-13(10)7-1-2-7/h3-7,14H,1-2H2.
What are the key properties of [2-chloro-4-(difluoromethoxy)phenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone?
[2-chloro-4-(difluoromethoxy)phenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone has a molecular weight of 313.69 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-(difluoromethoxy)phenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 54224083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).