N-[4-methyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide

C24H22F3N3O4 — CID 127043949

IUPACN-[4-methyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1OC1CCN(C(=O)c2ccno2)CC1
InChIInChI=1S/C24H22F3N3O4/c1-15-5-6-18(29-22(31)16-3-2-4-17(13-16)24(25,26)27)14-21(15)33-19-8-11-30(12-9-19)23(32)20-7-10-28-34-20/h2-7,10,13-14,19H,8-9,11-12H2,1H3,(H,29,31)
InChIKeyNKDMJTUDBQFMSG-UHFFFAOYSA-N
MW473.45 g/mol
LogP4.94
Rot. Bonds5

About N-[4-methyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide

N-[4-methyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide (PubChem CID 127043949) has the molecular formula C24H22F3N3O4 and a molecular weight of 473.45 g/mol. Its IUPAC name is N-[4-methyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-methyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide
PubChem CID127043949
Molecular FormulaC24H22F3N3O4
Molecular Weight473.45 g/mol
Exact Mass473.16
IUPAC NameN-[4-methyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1OC1CCN(C(=O)c2ccno2)CC1
InChIInChI=1S/C24H22F3N3O4/c1-15-5-6-18(29-22(31)16-3-2-4-17(13-16)24(25,26)27)14-21(15)33-19-8-11-30(12-9-19)23(32)20-7-10-28-34-20/h2-7,10,13-14,19H,8-9,11-12H2,1H3,(H,29,31)
InChIKeyNKDMJTUDBQFMSG-UHFFFAOYSA-N
XLogP4.94
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.45
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-tert-butylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methyl-1,2-oxazole-5-carboxamide
CID 121316758
Chmfl-kit-110
CID 127043948
N-[3-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-5-methoxyphenyl]-1,2-oxazole-5-carboxamide
CID 16745795
4-methyl-N-[4-methyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide
CID 127044434
3-chloro-N-[4-methyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-5-(trifluoromethyl)benzamide
CID 127044436
N-[4-[4-(difluoromethoxy)phenyl]-6-oxo-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridin-5-yl]-1,2-oxazole-5-carboxamide
CID 122362791
N-[2-(4-butoxyphenyl)-4-(4-methoxyphenyl)-6-oxo-2-(trifluoromethyl)-1,3-dihydropyridin-5-yl]-1,2-oxazole-5-carboxamide
CID 122362796
N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,2-oxazole-5-carboxamide
CID 16745785
N-(3-(4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenylcarbamoyl)-5-methoxyphenyl)isoxazole-5-carboxamide 2,2,2-trifluoroacetate
CID 46902909
N-[2-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]ethyl]pyridine-3-carboxamide
CID 127043942
N-[2-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]ethyl]-1,2-oxazole-5-carboxamide
CID 127043943
N-[4-methyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 127044579

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-methyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide (CID 127043949) is N-[4-methyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-methyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-methyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1OC1CCN(C(=O)c2ccno2)CC1.
What is the InChIKey of N-[4-methyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is NKDMJTUDBQFMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O4/c1-15-5-6-18(29-22(31)16-3-2-4-17(13-16)24(25,26)27)14-21(15)33-19-8-11-30(12-9-19)23(32)20-7-10-28-34-20/h2-7,10,13-14,19H,8-9,11-12H2,1H3,(H,29,31).
What are the key properties of N-[4-methyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide?
N-[4-methyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 473.45 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 127043949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).