N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]piperazin-1-yl]acetamide

C23H26F3N5O4 — CID 46491784

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[4-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]piperazin-1-yl]acetamide
SMILESCc1cc(NC(=O)CN2CCN(C(=O)C3CC(=O)N(Cc4cccc(C(F)(F)F)c4)C3)CC2)no1
InChIInChI=1S/C23H26F3N5O4/c1-15-9-19(28-35-15)27-20(32)14-29-5-7-30(8-6-29)22(34)17-11-21(33)31(13-17)12-16-3-2-4-18(10-16)23(24,25)26/h2-4,9-10,17H,5-8,11-14H2,1H3,(H,27,28,32)
InChIKeyWNGYFGYKTCTRRR-UHFFFAOYSA-N
MW493.49 g/mol
LogP2.13
Rot. Bonds6

About N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]piperazin-1-yl]acetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]piperazin-1-yl]acetamide (PubChem CID 46491784) has the molecular formula C23H26F3N5O4 and a molecular weight of 493.49 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[4-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]piperazin-1-yl]acetamide
PubChem CID46491784
Molecular FormulaC23H26F3N5O4
Molecular Weight493.49 g/mol
Exact Mass493.19
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[4-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]piperazin-1-yl]acetamide
SMILESCc1cc(NC(=O)CN2CCN(C(=O)C3CC(=O)N(Cc4cccc(C(F)(F)F)c4)C3)CC2)no1
InChIInChI=1S/C23H26F3N5O4/c1-15-9-19(28-35-15)27-20(32)14-29-5-7-30(8-6-29)22(34)17-11-21(33)31(13-17)12-16-3-2-4-18(10-16)23(24,25)26/h2-4,9-10,17H,5-8,11-14H2,1H3,(H,27,28,32)
InChIKeyWNGYFGYKTCTRRR-UHFFFAOYSA-N
XLogP2.13
TPSA98.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.49
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
CID 55891693
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 47039377
2-[4-(1-benzylpiperidine-3-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 60579845
1-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide
CID 55757120
4-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
CID 119410591
4-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
CID 120655849
1-[[3-(trifluoromethyl)phenyl]methyl]-4-[3-(trifluoromethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 47039174
(5R)-5-(azepane-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one
CID 42593464
N-[(4-methylphenyl)methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 46489423
N-(3-ethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 36854994
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 46109796
N-ethyl-2-[4-[(3S)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carbonyl]piperazin-1-yl]acetamide
CID 97274799

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]piperazin-1-yl]acetamide (CID 46491784) is N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]piperazin-1-yl]acetamide is Cc1cc(NC(=O)CN2CCN(C(=O)C3CC(=O)N(Cc4cccc(C(F)(F)F)c4)C3)CC2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]piperazin-1-yl]acetamide?
The InChIKey is WNGYFGYKTCTRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N5O4/c1-15-9-19(28-35-15)27-20(32)14-29-5-7-30(8-6-29)22(34)17-11-21(33)31(13-17)12-16-3-2-4-18(10-16)23(24,25)26/h2-4,9-10,17H,5-8,11-14H2,1H3,(H,27,28,32).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]piperazin-1-yl]acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]piperazin-1-yl]acetamide has a molecular weight of 493.49 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 46491784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).