(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

C16H21F2N3O3 — CID 97422370

IUPAC(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
SMILESCc1cc(CN2C[C@@H]3COC[C@]3(C(=O)NC3CC(F)(F)C3)C2)no1
InChIInChI=1S/C16H21F2N3O3/c1-10-2-12(20-24-10)6-21-5-11-7-23-9-15(11,8-21)14(22)19-13-3-16(17,18)4-13/h2,11,13H,3-9H2,1H3,(H,19,22)/t11-,15-/m1/s1
InChIKeyUAEXEQFFXYBFCC-IAQYHMDHSA-N
MW341.36 g/mol
LogP1.35
Rot. Bonds4

About (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

(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 (PubChem CID 97422370) has the molecular formula C16H21F2N3O3 and a molecular weight of 341.36 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID97422370
Molecular FormulaC16H21F2N3O3
Molecular Weight341.36 g/mol
Exact Mass341.16
IUPAC Name(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
SMILESCc1cc(CN2C[C@@H]3COC[C@]3(C(=O)NC3CC(F)(F)C3)C2)no1
InChIInChI=1S/C16H21F2N3O3/c1-10-2-12(20-24-10)6-21-5-11-7-23-9-15(11,8-21)14(22)19-13-3-16(17,18)4-13/h2,11,13H,3-9H2,1H3,(H,19,22)/t11-,15-/m1/s1
InChIKeyUAEXEQFFXYBFCC-IAQYHMDHSA-N
XLogP1.35
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1cc(CN2C[C@@H]3COC[C@]3(C(=O)NC3CC(F)(F)C3)C2)no1.
What is the InChIKey of (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?
The InChIKey is UAEXEQFFXYBFCC-IAQYHMDHSA-N. The full InChI is InChI=1S/C16H21F2N3O3/c1-10-2-12(20-24-10)6-21-5-11-7-23-9-15(11,8-21)14(22)19-13-3-16(17,18)4-13/h2,11,13H,3-9H2,1H3,(H,19,22)/t11-,15-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 341.36 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 97422370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).