5-(5-chloro-2,4-dihydroxyphenyl)-N-(2-fluoroethyl)-4-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide

C19H16ClFN2O5 — CID 143528322

IUPAC5-(5-chloro-2,4-dihydroxyphenyl)-N-(2-fluoroethyl)-4-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2c(C(=O)NCCF)noc2-c2cc(Cl)c(O)cc2O)cc1
InChIInChI=1S/C19H16ClFN2O5/c1-27-11-4-2-10(3-5-11)16-17(19(26)22-7-6-21)23-28-18(16)12-8-13(20)15(25)9-14(12)24/h2-5,8-9,24-25H,6-7H2,1H3,(H,22,26)
InChIKeyWEARBTBUBUNMPW-UHFFFAOYSA-N
MW406.80 g/mol
LogP3.78
Rot. Bonds6

About 5-(5-chloro-2,4-dihydroxyphenyl)-N-(2-fluoroethyl)-4-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide

5-(5-chloro-2,4-dihydroxyphenyl)-N-(2-fluoroethyl)-4-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 143528322) has the molecular formula C19H16ClFN2O5 and a molecular weight of 406.80 g/mol. Its IUPAC name is 5-(5-chloro-2,4-dihydroxyphenyl)-N-(2-fluoroethyl)-4-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-chloro-2,4-dihydroxyphenyl)-N-(2-fluoroethyl)-4-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID143528322
Molecular FormulaC19H16ClFN2O5
Molecular Weight406.80 g/mol
Exact Mass406.07
IUPAC Name5-(5-chloro-2,4-dihydroxyphenyl)-N-(2-fluoroethyl)-4-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2c(C(=O)NCCF)noc2-c2cc(Cl)c(O)cc2O)cc1
InChIInChI=1S/C19H16ClFN2O5/c1-27-11-4-2-10(3-5-11)16-17(19(26)22-7-6-21)23-28-18(16)12-8-13(20)15(25)9-14(12)24/h2-5,8-9,24-25H,6-7H2,1H3,(H,22,26)
InChIKeyWEARBTBUBUNMPW-UHFFFAOYSA-N
XLogP3.78
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.80
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(5-chloro-2,4-dihydroxyphenyl)-N-(2-(18F)fluoroethyl)-4-[3-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 135939690
ethyl 5-[[5-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazole-3-carbonyl]amino]-3,3,5-trimethylhexanoate
CID 143778008
5-(2,4-dibutoxy-5-chlorophenyl)-N-ethyl-4-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 70895951
5-[5-chloro-2-hydroxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]-N-ethyl-4-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 146297700
5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(2,2,4,4-tetramethylhexoxy)phenyl]-1,2-oxazole-3-carboxamide;N-hydroxyformamide
CID 143645485
5-(5-chloro-2,4-dihydroxyphenyl)-N-[2-[[(E)-2-hydroxy-3-(methylideneamino)prop-2-enylidene]amino]ethyl]-4-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]-1,2-oxazole-3-carboxamide;formamide
CID 143778013
5-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-N-ethyl-4-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 24774440
N-ethyl-5-[5-(2-fluorophenyl)-2,4-dihydroxyphenyl]-4-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 136624721
N-[5-(5-chloro-2,4-dihydroxyphenyl)-1,2-oxazol-4-yl]-4-methoxybenzamide
CID 144926501
4-chloro-2-[4-(4-methoxyphenyl)-3-methyl-1,2-oxazol-5-yl]phenol
CID 143777991
5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[3-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 135749939
diethyl-[[4-[3-(ethylcarbamoyl)-5-[5-(4-fluorophenyl)-2,4-dihydroxyphenyl]-1,2-oxazol-4-yl]phenyl]methyl]azanium chloride
CID 159875545

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2,4-dihydroxyphenyl)-N-(2-fluoroethyl)-4-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(5-chloro-2,4-dihydroxyphenyl)-N-(2-fluoroethyl)-4-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide (CID 143528322) is 5-(5-chloro-2,4-dihydroxyphenyl)-N-(2-fluoroethyl)-4-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(5-chloro-2,4-dihydroxyphenyl)-N-(2-fluoroethyl)-4-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(5-chloro-2,4-dihydroxyphenyl)-N-(2-fluoroethyl)-4-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide is COc1ccc(-c2c(C(=O)NCCF)noc2-c2cc(Cl)c(O)cc2O)cc1.
What is the InChIKey of 5-(5-chloro-2,4-dihydroxyphenyl)-N-(2-fluoroethyl)-4-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is WEARBTBUBUNMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O5/c1-27-11-4-2-10(3-5-11)16-17(19(26)22-7-6-21)23-28-18(16)12-8-13(20)15(25)9-14(12)24/h2-5,8-9,24-25H,6-7H2,1H3,(H,22,26).
What are the key properties of 5-(5-chloro-2,4-dihydroxyphenyl)-N-(2-fluoroethyl)-4-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
5-(5-chloro-2,4-dihydroxyphenyl)-N-(2-fluoroethyl)-4-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 406.80 g/mol, XLogP of 3.78, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2,4-dihydroxyphenyl)-N-(2-fluoroethyl)-4-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 143528322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).