2-cyclopropyl-5-[[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole;2,2,2-trifluoroacetic acid

C15H18F3N5O3 — CID 167802712

IUPAC2-cyclopropyl-5-[[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1n[nH]c(C2CCN(Cc3cnc(C4CC4)o3)C2)n1
InChIInChI=1S/C13H17N5O.C2HF3O2/c1-2-9(1)13-14-5-11(19-13)7-18-4-3-10(6-18)12-15-8-16-17-12;3-2(4,5)1(6)7/h5,8-10H,1-4,6-7H2,(H,15,16,17);(H,6,7)
InChIKeyQZVYZOGDTXOQGK-UHFFFAOYSA-N
MW373.34 g/mol
LogP2.29
Rot. Bonds4

About 2-cyclopropyl-5-[[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole;2,2,2-trifluoroacetic acid

2-cyclopropyl-5-[[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole;2,2,2-trifluoroacetic acid (PubChem CID 167802712) has the molecular formula C15H18F3N5O3 and a molecular weight of 373.34 g/mol. Its IUPAC name is 2-cyclopropyl-5-[[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-cyclopropyl-5-[[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole;2,2,2-trifluoroacetic acid
PubChem CID167802712
Molecular FormulaC15H18F3N5O3
Molecular Weight373.34 g/mol
Exact Mass373.14
IUPAC Name2-cyclopropyl-5-[[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1n[nH]c(C2CCN(Cc3cnc(C4CC4)o3)C2)n1
InChIInChI=1S/C13H17N5O.C2HF3O2/c1-2-9(1)13-14-5-11(19-13)7-18-4-3-10(6-18)12-15-8-16-17-12;3-2(4,5)1(6)7/h5,8-10H,1-4,6-7H2,(H,15,16,17);(H,6,7)
InChIKeyQZVYZOGDTXOQGK-UHFFFAOYSA-N
XLogP2.29
TPSA108.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.34
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-cyclopropyl-5-[[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole;2,2,2-trifluoroacetic acid with MolForge

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Launch Full Analysis

Related Compounds

6-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-1-oxa-6-azaspiro[2.5]octane
CID 142754320
4-[[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methyl]benzoic acid
CID 110120079
2-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-5-yl]acetic acid
CID 115085180
2-[4-[[(3S)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenoxy]acetic acid
CID 99930607
2-morpholin-4-yl-1-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 90650699
2-[2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-5-yl]acetic acid
CID 115085042
2-cyclohexyl-5-[[(3S)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]pyrimidine
CID 99960847
2-(3-chlorophenyl)-1-[4-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 136555234
4-[[(2-cyclopropyl-1,3-oxazol-5-yl)methylamino]methyl]benzoic acid
CID 122035175
(1-hydroxycyclohexyl)-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
CID 128894652
2-[4-[(2-cyclopropyl-1,3-oxazol-5-yl)methylamino]indol-1-yl]acetic acid;2,2,2-trifluoroacetic acid
CID 166283407
(1S,3aR,7aR)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-(pyridin-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155843153

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-cyclopropyl-5-[[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole;2,2,2-trifluoroacetic acid (CID 167802712) is 2-cyclopropyl-5-[[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-cyclopropyl-5-[[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-cyclopropyl-5-[[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1n[nH]c(C2CCN(Cc3cnc(C4CC4)o3)C2)n1.
What is the InChIKey of 2-cyclopropyl-5-[[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole;2,2,2-trifluoroacetic acid?
The InChIKey is QZVYZOGDTXOQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O.C2HF3O2/c1-2-9(1)13-14-5-11(19-13)7-18-4-3-10(6-18)12-15-8-16-17-12;3-2(4,5)1(6)7/h5,8-10H,1-4,6-7H2,(H,15,16,17);(H,6,7).
What are the key properties of 2-cyclopropyl-5-[[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole;2,2,2-trifluoroacetic acid?
2-cyclopropyl-5-[[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole;2,2,2-trifluoroacetic acid has a molecular weight of 373.34 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 167802712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).