N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

C14H17F3N4O4 — CID 110370264

IUPACN-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCc1cc(NC(=O)CNC(=O)C2CCN(C(=O)C(F)(F)F)CC2)no1
InChIInChI=1S/C14H17F3N4O4/c1-8-6-10(20-25-8)19-11(22)7-18-12(23)9-2-4-21(5-3-9)13(24)14(15,16)17/h6,9H,2-5,7H2,1H3,(H,18,23)(H,19,20,22)
InChIKeyROHVZETVYCNXSD-UHFFFAOYSA-N
MW362.31 g/mol
LogP0.84
Rot. Bonds4

About N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (PubChem CID 110370264) has the molecular formula C14H17F3N4O4 and a molecular weight of 362.31 g/mol. Its IUPAC name is N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
PubChem CID110370264
Molecular FormulaC14H17F3N4O4
Molecular Weight362.31 g/mol
Exact Mass362.12
IUPAC NameN-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCc1cc(NC(=O)CNC(=O)C2CCN(C(=O)C(F)(F)F)CC2)no1
InChIInChI=1S/C14H17F3N4O4/c1-8-6-10(20-25-8)19-11(22)7-18-12(23)9-2-4-21(5-3-9)13(24)14(15,16)17/h6,9H,2-5,7H2,1H3,(H,18,23)(H,19,20,22)
InChIKeyROHVZETVYCNXSD-UHFFFAOYSA-N
XLogP0.84
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]oxane-4-carboxamide
CID 113002379
1-methyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 110693557
1-N,1-N-dimethyl-4-N-(5-methyl-1,2-oxazol-3-yl)piperidine-1,4-dicarboxamide
CID 47136046
N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110370397
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]oxolane-2-carboxamide
CID 110605031
N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide
CID 39701615
tert-butyl 4-[[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carboxylate
CID 110624102
2,2-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108958534
N-(5-methyl-1,2-oxazol-3-yl)-1-(5-methylthiophene-2-carbonyl)piperidine-4-carboxamide
CID 39700752
N-(5-methyl-1,2-oxazol-3-yl)-1-(pyrrolidine-2-carbonyl)piperidine-4-carboxamide
CID 119276056
1-[2-(4-methoxyphenyl)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 39700872
1-(2,3-dimethylquinoxaline-6-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 51299844

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (CID 110370264) is N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is Cc1cc(NC(=O)CNC(=O)C2CCN(C(=O)C(F)(F)F)CC2)no1.
What is the InChIKey of N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The InChIKey is ROHVZETVYCNXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4O4/c1-8-6-10(20-25-8)19-11(22)7-18-12(23)9-2-4-21(5-3-9)13(24)14(15,16)17/h6,9H,2-5,7H2,1H3,(H,18,23)(H,19,20,22).
What are the key properties of N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide has a molecular weight of 362.31 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 110370264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).