N-[2-[[1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)piperidin-4-yl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethoxy)benzamide

C24H30F3N5O4 — CID 69435679

IUPACN-[2-[[1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)piperidin-4-yl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethoxy)benzamide
SMILESCc1noc(C)c1N1CCC(N2CCC(NC(=O)CNC(=O)c3cccc(OC(F)(F)F)c3)C2)CC1
InChIInChI=1S/C24H30F3N5O4/c1-15-22(16(2)36-30-15)31-10-7-19(8-11-31)32-9-6-18(14-32)29-21(33)13-28-23(34)17-4-3-5-20(12-17)35-24(25,26)27/h3-5,12,18-19H,6-11,13-14H2,1-2H3,(H,28,34)(H,29,33)
InChIKeyLCBQBCRWMIXATK-UHFFFAOYSA-N
MW509.53 g/mol
LogP2.78
Rot. Bonds7

About N-[2-[[1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)piperidin-4-yl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethoxy)benzamide

N-[2-[[1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)piperidin-4-yl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethoxy)benzamide (PubChem CID 69435679) has the molecular formula C24H30F3N5O4 and a molecular weight of 509.53 g/mol. Its IUPAC name is N-[2-[[1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)piperidin-4-yl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[2-[[1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)piperidin-4-yl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethoxy)benzamide
PubChem CID69435679
Molecular FormulaC24H30F3N5O4
Molecular Weight509.53 g/mol
Exact Mass509.22
IUPAC NameN-[2-[[1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)piperidin-4-yl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethoxy)benzamide
SMILESCc1noc(C)c1N1CCC(N2CCC(NC(=O)CNC(=O)c3cccc(OC(F)(F)F)c3)C2)CC1
InChIInChI=1S/C24H30F3N5O4/c1-15-22(16(2)36-30-15)31-10-7-19(8-11-31)32-9-6-18(14-32)29-21(33)13-28-23(34)17-4-3-5-20(12-17)35-24(25,26)27/h3-5,12,18-19H,6-11,13-14H2,1-2H3,(H,28,34)(H,29,33)
InChIKeyLCBQBCRWMIXATK-UHFFFAOYSA-N
XLogP2.78
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.53
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)piperidin-4-yl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethoxy)benzamide?
The IUPAC name of N-[2-[[1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)piperidin-4-yl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethoxy)benzamide (CID 69435679) is N-[2-[[1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)piperidin-4-yl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[2-[[1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)piperidin-4-yl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[2-[[1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)piperidin-4-yl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethoxy)benzamide is Cc1noc(C)c1N1CCC(N2CCC(NC(=O)CNC(=O)c3cccc(OC(F)(F)F)c3)C2)CC1.
What is the InChIKey of N-[2-[[1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)piperidin-4-yl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethoxy)benzamide?
The InChIKey is LCBQBCRWMIXATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3N5O4/c1-15-22(16(2)36-30-15)31-10-7-19(8-11-31)32-9-6-18(14-32)29-21(33)13-28-23(34)17-4-3-5-20(12-17)35-24(25,26)27/h3-5,12,18-19H,6-11,13-14H2,1-2H3,(H,28,34)(H,29,33).
What are the key properties of N-[2-[[1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)piperidin-4-yl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethoxy)benzamide?
N-[2-[[1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)piperidin-4-yl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethoxy)benzamide has a molecular weight of 509.53 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)piperidin-4-yl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethoxy)benzamide is sourced from PubChem (CID 69435679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).