(4R)-2-hydroxy-N-[2-methoxy-5-[4-(trifluoromethyl)cyclohexyl]oxyphenyl]-3-methyl-1,3-oxazolidine-4-carboxamide

C19H25F3N2O5 — CID 167236068

IUPAC(4R)-2-hydroxy-N-[2-methoxy-5-[4-(trifluoromethyl)cyclohexyl]oxyphenyl]-3-methyl-1,3-oxazolidine-4-carboxamide
SMILESCOc1ccc(OC2CCC(C(F)(F)F)CC2)cc1NC(=O)[C@H]1COC(O)N1C
InChIInChI=1S/C19H25F3N2O5/c1-24-15(10-28-18(24)26)17(25)23-14-9-13(7-8-16(14)27-2)29-12-5-3-11(4-6-12)19(20,21)22/h7-9,11-12,15,18,26H,3-6,10H2,1-2H3,(H,23,25)/t11?,12?,15-,18?/m1/s1
InChIKeyFNFCOXIXYZBOHO-QZHKJZSFSA-N
MW418.41 g/mol
LogP2.74
Rot. Bonds5

About (4R)-2-hydroxy-N-[2-methoxy-5-[4-(trifluoromethyl)cyclohexyl]oxyphenyl]-3-methyl-1,3-oxazolidine-4-carboxamide

(4R)-2-hydroxy-N-[2-methoxy-5-[4-(trifluoromethyl)cyclohexyl]oxyphenyl]-3-methyl-1,3-oxazolidine-4-carboxamide (PubChem CID 167236068) has the molecular formula C19H25F3N2O5 and a molecular weight of 418.41 g/mol. Its IUPAC name is (4R)-2-hydroxy-N-[2-methoxy-5-[4-(trifluoromethyl)cyclohexyl]oxyphenyl]-3-methyl-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-2-hydroxy-N-[2-methoxy-5-[4-(trifluoromethyl)cyclohexyl]oxyphenyl]-3-methyl-1,3-oxazolidine-4-carboxamide
PubChem CID167236068
Molecular FormulaC19H25F3N2O5
Molecular Weight418.41 g/mol
Exact Mass418.17
IUPAC Name(4R)-2-hydroxy-N-[2-methoxy-5-[4-(trifluoromethyl)cyclohexyl]oxyphenyl]-3-methyl-1,3-oxazolidine-4-carboxamide
SMILESCOc1ccc(OC2CCC(C(F)(F)F)CC2)cc1NC(=O)[C@H]1COC(O)N1C
InChIInChI=1S/C19H25F3N2O5/c1-24-15(10-28-18(24)26)17(25)23-14-9-13(7-8-16(14)27-2)29-12-5-3-11(4-6-12)19(20,21)22/h7-9,11-12,15,18,26H,3-6,10H2,1-2H3,(H,23,25)/t11?,12?,15-,18?/m1/s1
InChIKeyFNFCOXIXYZBOHO-QZHKJZSFSA-N
XLogP2.74
TPSA80.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.41
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-2-methyl-1,1-dioxothiazetidine-3-carboxamide
CID 166074183
N-[5-(2-bicyclo[2.2.1]heptanyloxy)-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166073602
N-(2,5-dimethoxyphenyl)-1-methylpiperidine-4-carboxamide
CID 95968075
N-[5-(3-fluoro-4-methoxyphenoxy)-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166073875
N-(2,4-dimethoxyphenyl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 71992851
(4S)-3-acetyl-N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-2-oxoimidazolidine-4-carboxamide
CID 166073463
(2S)-N-[2-methoxy-5-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166073828
N-(2,5-dimethoxyphenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108511925
N-(2,5-dimethoxyphenyl)-5-oxomorpholine-3-carboxamide
CID 110696823
2-amino-N-(2,5-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 114997065
N-(5-acetamido-2-methoxyphenyl)-2-(4-cyclopentyloxyanilino)propanamide
CID 55572382
1-[(1R)-1-cyclohexyl-2,2,2-trifluoroethyl]-3-(2,5-dimethoxyphenyl)urea
CID 95975281

Frequently Asked Questions

What is the IUPAC name of (4R)-2-hydroxy-N-[2-methoxy-5-[4-(trifluoromethyl)cyclohexyl]oxyphenyl]-3-methyl-1,3-oxazolidine-4-carboxamide?
The IUPAC name of (4R)-2-hydroxy-N-[2-methoxy-5-[4-(trifluoromethyl)cyclohexyl]oxyphenyl]-3-methyl-1,3-oxazolidine-4-carboxamide (CID 167236068) is (4R)-2-hydroxy-N-[2-methoxy-5-[4-(trifluoromethyl)cyclohexyl]oxyphenyl]-3-methyl-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for (4R)-2-hydroxy-N-[2-methoxy-5-[4-(trifluoromethyl)cyclohexyl]oxyphenyl]-3-methyl-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for (4R)-2-hydroxy-N-[2-methoxy-5-[4-(trifluoromethyl)cyclohexyl]oxyphenyl]-3-methyl-1,3-oxazolidine-4-carboxamide is COc1ccc(OC2CCC(C(F)(F)F)CC2)cc1NC(=O)[C@H]1COC(O)N1C.
What is the InChIKey of (4R)-2-hydroxy-N-[2-methoxy-5-[4-(trifluoromethyl)cyclohexyl]oxyphenyl]-3-methyl-1,3-oxazolidine-4-carboxamide?
The InChIKey is FNFCOXIXYZBOHO-QZHKJZSFSA-N. The full InChI is InChI=1S/C19H25F3N2O5/c1-24-15(10-28-18(24)26)17(25)23-14-9-13(7-8-16(14)27-2)29-12-5-3-11(4-6-12)19(20,21)22/h7-9,11-12,15,18,26H,3-6,10H2,1-2H3,(H,23,25)/t11?,12?,15-,18?/m1/s1.
What are the key properties of (4R)-2-hydroxy-N-[2-methoxy-5-[4-(trifluoromethyl)cyclohexyl]oxyphenyl]-3-methyl-1,3-oxazolidine-4-carboxamide?
(4R)-2-hydroxy-N-[2-methoxy-5-[4-(trifluoromethyl)cyclohexyl]oxyphenyl]-3-methyl-1,3-oxazolidine-4-carboxamide has a molecular weight of 418.41 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-hydroxy-N-[2-methoxy-5-[4-(trifluoromethyl)cyclohexyl]oxyphenyl]-3-methyl-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 167236068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).