(3aS,6aR)-3a-(cyclopropylmethoxymethyl)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole;2,2,2-trifluoroacetic acid

C18H25F3N2O5 — CID 155830170

IUPAC(3aS,6aR)-3a-(cyclopropylmethoxymethyl)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole;2,2,2-trifluoroacetic acid
SMILESCc1cc(CN2C[C@@H]3COC[C@]3(COCC3CC3)C2)no1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H24N2O3.C2HF3O2/c1-12-4-15(17-21-12)6-18-5-14-8-20-11-16(14,9-18)10-19-7-13-2-3-13;3-2(4,5)1(6)7/h4,13-14H,2-3,5-11H2,1H3;(H,6,7)/t14-,16-;/m1./s1
InChIKeyXJNKRZIJHJXGQD-VNYZMKMESA-N
MW406.40 g/mol
LogP2.49
Rot. Bonds6

About (3aS,6aR)-3a-(cyclopropylmethoxymethyl)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole;2,2,2-trifluoroacetic acid

(3aS,6aR)-3a-(cyclopropylmethoxymethyl)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole;2,2,2-trifluoroacetic acid (PubChem CID 155830170) has the molecular formula C18H25F3N2O5 and a molecular weight of 406.40 g/mol. Its IUPAC name is (3aS,6aR)-3a-(cyclopropylmethoxymethyl)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(3aS,6aR)-3a-(cyclopropylmethoxymethyl)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole;2,2,2-trifluoroacetic acid
PubChem CID155830170
Molecular FormulaC18H25F3N2O5
Molecular Weight406.40 g/mol
Exact Mass406.17
IUPAC Name(3aS,6aR)-3a-(cyclopropylmethoxymethyl)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole;2,2,2-trifluoroacetic acid
SMILESCc1cc(CN2C[C@@H]3COC[C@]3(COCC3CC3)C2)no1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H24N2O3.C2HF3O2/c1-12-4-15(17-21-12)6-18-5-14-8-20-11-16(14,9-18)10-19-7-13-2-3-13;3-2(4,5)1(6)7/h4,13-14H,2-3,5-11H2,1H3;(H,6,7)/t14-,16-;/m1./s1
InChIKeyXJNKRZIJHJXGQD-VNYZMKMESA-N
XLogP2.49
TPSA85.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3aS,6aR)-3a-(cyclopropylmethoxymethyl)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-3a-(cyclopropylmethoxymethyl)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole;2,2,2-trifluoroacetic acid?
The IUPAC name of (3aS,6aR)-3a-(cyclopropylmethoxymethyl)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole;2,2,2-trifluoroacetic acid (CID 155830170) is (3aS,6aR)-3a-(cyclopropylmethoxymethyl)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (3aS,6aR)-3a-(cyclopropylmethoxymethyl)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole;2,2,2-trifluoroacetic acid?
The canonical SMILES for (3aS,6aR)-3a-(cyclopropylmethoxymethyl)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole;2,2,2-trifluoroacetic acid is Cc1cc(CN2C[C@@H]3COC[C@]3(COCC3CC3)C2)no1.O=C(O)C(F)(F)F.
What is the InChIKey of (3aS,6aR)-3a-(cyclopropylmethoxymethyl)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole;2,2,2-trifluoroacetic acid?
The InChIKey is XJNKRZIJHJXGQD-VNYZMKMESA-N. The full InChI is InChI=1S/C16H24N2O3.C2HF3O2/c1-12-4-15(17-21-12)6-18-5-14-8-20-11-16(14,9-18)10-19-7-13-2-3-13;3-2(4,5)1(6)7/h4,13-14H,2-3,5-11H2,1H3;(H,6,7)/t14-,16-;/m1./s1.
What are the key properties of (3aS,6aR)-3a-(cyclopropylmethoxymethyl)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole;2,2,2-trifluoroacetic acid?
(3aS,6aR)-3a-(cyclopropylmethoxymethyl)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole;2,2,2-trifluoroacetic acid has a molecular weight of 406.40 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-3a-(cyclopropylmethoxymethyl)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155830170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).