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

C15H19F3N4O4 — CID 110370398

IUPACN-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCc1cc(NC(=O)CCNC(=O)C2CCN(C(=O)C(F)(F)F)CC2)no1
InChIInChI=1S/C15H19F3N4O4/c1-9-8-11(21-26-9)20-12(23)2-5-19-13(24)10-3-6-22(7-4-10)14(25)15(16,17)18/h8,10H,2-7H2,1H3,(H,19,24)(H,20,21,23)
InChIKeyBNLBYDJZKUASRB-UHFFFAOYSA-N
MW376.34 g/mol
LogP1.23
Rot. Bonds5

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

N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (PubChem CID 110370398) has the molecular formula C15H19F3N4O4 and a molecular weight of 376.34 g/mol. Its IUPAC name is N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
PubChem CID110370398
Molecular FormulaC15H19F3N4O4
Molecular Weight376.34 g/mol
Exact Mass376.14
IUPAC NameN-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCc1cc(NC(=O)CCNC(=O)C2CCN(C(=O)C(F)(F)F)CC2)no1
InChIInChI=1S/C15H19F3N4O4/c1-9-8-11(21-26-9)20-12(23)2-5-19-13(24)10-3-6-22(7-4-10)14(25)15(16,17)18/h8,10H,2-7H2,1H3,(H,19,24)(H,20,21,23)
InChIKeyBNLBYDJZKUASRB-UHFFFAOYSA-N
XLogP1.23
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The IUPAC name of N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (CID 110370398) is N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is Cc1cc(NC(=O)CCNC(=O)C2CCN(C(=O)C(F)(F)F)CC2)no1.
What is the InChIKey of N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The InChIKey is BNLBYDJZKUASRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O4/c1-9-8-11(21-26-9)20-12(23)2-5-19-13(24)10-3-6-22(7-4-10)14(25)15(16,17)18/h8,10H,2-7H2,1H3,(H,19,24)(H,20,21,23).
What are the key properties of N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide has a molecular weight of 376.34 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 110370398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).