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

C17H25F3N4O5 — CID 127021624

IUPAC3-[[(3aR,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,1-dimethylurea;2,2,2-trifluoroacetic acid
SMILESCc1cc(CN2C[C@@H]3COC[C@]3(CNC(=O)N(C)C)C2)no1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H24N4O3.C2HF3O2/c1-11-4-13(17-22-11)6-19-5-12-7-21-10-15(12,9-19)8-16-14(20)18(2)3;3-2(4,5)1(6)7/h4,12H,5-10H2,1-3H3,(H,16,20);(H,6,7)/t12-,15+;/m1./s1
InChIKeyMDDLLINFLBYCCR-YLCXCWDSSA-N
MW422.40 g/mol
LogP1.34
Rot. Bonds4

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

3-[[(3aR,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,1-dimethylurea;2,2,2-trifluoroacetic acid (PubChem CID 127021624) has the molecular formula C17H25F3N4O5 and a molecular weight of 422.40 g/mol. Its IUPAC name is 3-[[(3aR,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,1-dimethylurea;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-[[(3aR,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,1-dimethylurea;2,2,2-trifluoroacetic acid
PubChem CID127021624
Molecular FormulaC17H25F3N4O5
Molecular Weight422.40 g/mol
Exact Mass422.18
IUPAC Name3-[[(3aR,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,1-dimethylurea;2,2,2-trifluoroacetic acid
SMILESCc1cc(CN2C[C@@H]3COC[C@]3(CNC(=O)N(C)C)C2)no1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H24N4O3.C2HF3O2/c1-11-4-13(17-22-11)6-19-5-12-7-21-10-15(12,9-19)8-16-14(20)18(2)3;3-2(4,5)1(6)7/h4,12H,5-10H2,1-3H3,(H,16,20);(H,6,7)/t12-,15+;/m1./s1
InChIKeyMDDLLINFLBYCCR-YLCXCWDSSA-N
XLogP1.34
TPSA108.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.40
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

1-[(3aR,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N,N-dimethylmethanamine
CID 97420485
3-[[(3aR,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,1-dimethylurea
CID 97420527
N-[[(3aR,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyrrolidine-1-carboxamide
CID 97420536
N-[[(3aS,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 127021623
N-[[(3aR,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 127022109
1-[(3aR,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N,N-dimethylmethanamine;bis(2,2,2-trifluoroacetic acid)
CID 127023595
1-Methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]urea
CID 53505328
1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]urea
CID 94119370
1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]urea
CID 94119371
(3aR,6aR)-N-(3,3-difluorocyclobutyl)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide
CID 97422370
(3S,4S)-1-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methylcarbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122010776
(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

Frequently Asked Questions

What is the IUPAC name of 3-[[(3aR,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,1-dimethylurea;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-[[(3aR,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,1-dimethylurea;2,2,2-trifluoroacetic acid (CID 127021624) is 3-[[(3aR,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,1-dimethylurea;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-[[(3aR,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,1-dimethylurea;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-[[(3aR,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,1-dimethylurea;2,2,2-trifluoroacetic acid is Cc1cc(CN2C[C@@H]3COC[C@]3(CNC(=O)N(C)C)C2)no1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-[[(3aR,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,1-dimethylurea;2,2,2-trifluoroacetic acid?
The InChIKey is MDDLLINFLBYCCR-YLCXCWDSSA-N. The full InChI is InChI=1S/C15H24N4O3.C2HF3O2/c1-11-4-13(17-22-11)6-19-5-12-7-21-10-15(12,9-19)8-16-14(20)18(2)3;3-2(4,5)1(6)7/h4,12H,5-10H2,1-3H3,(H,16,20);(H,6,7)/t12-,15+;/m1./s1.
What are the key properties of 3-[[(3aR,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,1-dimethylurea;2,2,2-trifluoroacetic acid?
3-[[(3aR,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,1-dimethylurea;2,2,2-trifluoroacetic acid has a molecular weight of 422.40 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3aR,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,1-dimethylurea;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 127021624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).