N-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-3-methoxybenzamide

C19H17F3N2O4 — CID 59652603

IUPACN-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2ccc(C3=NOC(O)(C(F)(F)F)C3)cc2)c1
InChIInChI=1S/C19H17F3N2O4/c1-27-15-4-2-3-14(9-15)17(25)23-11-12-5-7-13(8-6-12)16-10-18(26,28-24-16)19(20,21)22/h2-9,26H,10-11H2,1H3,(H,23,25)
InChIKeyWAUYPNGJJNOLKL-UHFFFAOYSA-N
MW394.35 g/mol
LogP3.00
Rot. Bonds5

About N-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-3-methoxybenzamide

N-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-3-methoxybenzamide (PubChem CID 59652603) has the molecular formula C19H17F3N2O4 and a molecular weight of 394.35 g/mol. Its IUPAC name is N-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-3-methoxybenzamide
PubChem CID59652603
Molecular FormulaC19H17F3N2O4
Molecular Weight394.35 g/mol
Exact Mass394.11
IUPAC NameN-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2ccc(C3=NOC(O)(C(F)(F)F)C3)cc2)c1
InChIInChI=1S/C19H17F3N2O4/c1-27-15-4-2-3-14(9-15)17(25)23-11-12-5-7-13(8-6-12)16-10-18(26,28-24-16)19(20,21)22/h2-9,26H,10-11H2,1H3,(H,23,25)
InChIKeyWAUYPNGJJNOLKL-UHFFFAOYSA-N
XLogP3.00
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2~{R})-2-[[4-[[4-methoxy-2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]butanoic acid
CID 129520967
N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-5-(1-(methoxyimino)ethyl)-N3,N3-dipropylisophthalamide
CID 44189143
2-[[4-[[4-Methoxy-2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]butanoic acid
CID 127042148
(E)-3-[3-(3-methylbut-2-enyl)-5-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]phenyl]prop-2-enoic acid
CID 135304436
[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-methoxyphenyl)methanone
CID 3147069
1-benzoyl-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
CID 6615423
5-(1-(allyloxyimino)ethyl)-N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-N3,N3-dipropylisophthalamide
CID 45270645
1-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]-5-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 45271465
trans-Methyl 4-(3-(2-(4-(trifluoromethoxy)benzylcarbamoyl)cyclopentyl)-4,5-dihydroisoxazol-5-yl)benzoate
CID 45486753
(2S)-2-[[4-[[4-methoxy-2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]butanoic acid
CID 129520966
N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]-3-methoxybenzamide
CID 155546277
2-[[4-[[2-(Trifluoromethoxy)phenyl]methylcarbamoyl]phenyl]methyl]butanoic acid
CID 127039683

Frequently Asked Questions

What is the IUPAC name of N-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-3-methoxybenzamide?
The IUPAC name of N-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-3-methoxybenzamide (CID 59652603) is N-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-3-methoxybenzamide.
What is the SMILES notation for N-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-3-methoxybenzamide?
The canonical SMILES for N-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-3-methoxybenzamide is COc1cccc(C(=O)NCc2ccc(C3=NOC(O)(C(F)(F)F)C3)cc2)c1.
What is the InChIKey of N-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-3-methoxybenzamide?
The InChIKey is WAUYPNGJJNOLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O4/c1-27-15-4-2-3-14(9-15)17(25)23-11-12-5-7-13(8-6-12)16-10-18(26,28-24-16)19(20,21)22/h2-9,26H,10-11H2,1H3,(H,23,25).
What are the key properties of N-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-3-methoxybenzamide?
N-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-3-methoxybenzamide has a molecular weight of 394.35 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-3-methoxybenzamide is sourced from PubChem (CID 59652603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).