3-(cyclopropylmethoxymethyl)-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid

C18H23F3N4O4 — CID 118744340

IUPAC3-(cyclopropylmethoxymethyl)-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid
SMILESCn1ccnc1CN1CCc2onc(COCC3CC3)c2C1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H22N4O2.C2HF3O2/c1-19-7-5-17-16(19)9-20-6-4-15-13(8-20)14(18-22-15)11-21-10-12-2-3-12;3-2(4,5)1(6)7/h5,7,12H,2-4,6,8-11H2,1H3;(H,6,7)
InChIKeyYTWQBPUYHNDYMH-UHFFFAOYSA-N
MW416.40 g/mol
LogP2.53
Rot. Bonds6

About 3-(cyclopropylmethoxymethyl)-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid

3-(cyclopropylmethoxymethyl)-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid (PubChem CID 118744340) has the molecular formula C18H23F3N4O4 and a molecular weight of 416.40 g/mol. Its IUPAC name is 3-(cyclopropylmethoxymethyl)-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-(cyclopropylmethoxymethyl)-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid
PubChem CID118744340
Molecular FormulaC18H23F3N4O4
Molecular Weight416.40 g/mol
Exact Mass416.17
IUPAC Name3-(cyclopropylmethoxymethyl)-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid
SMILESCn1ccnc1CN1CCc2onc(COCC3CC3)c2C1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H22N4O2.C2HF3O2/c1-19-7-5-17-16(19)9-20-6-4-15-13(8-20)14(18-22-15)11-21-10-12-2-3-12;3-2(4,5)1(6)7/h5,7,12H,2-4,6,8-11H2,1H3;(H,6,7)
InChIKeyYTWQBPUYHNDYMH-UHFFFAOYSA-N
XLogP2.53
TPSA93.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(cyclopropylmethoxymethyl)-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxymethyl)-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-(cyclopropylmethoxymethyl)-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid (CID 118744340) is 3-(cyclopropylmethoxymethyl)-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-(cyclopropylmethoxymethyl)-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-(cyclopropylmethoxymethyl)-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid is Cn1ccnc1CN1CCc2onc(COCC3CC3)c2C1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-(cyclopropylmethoxymethyl)-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid?
The InChIKey is YTWQBPUYHNDYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2.C2HF3O2/c1-19-7-5-17-16(19)9-20-6-4-15-13(8-20)14(18-22-15)11-21-10-12-2-3-12;3-2(4,5)1(6)7/h5,7,12H,2-4,6,8-11H2,1H3;(H,6,7).
What are the key properties of 3-(cyclopropylmethoxymethyl)-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid?
3-(cyclopropylmethoxymethyl)-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid has a molecular weight of 416.40 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxymethyl)-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118744340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).