(3aS,6aR)-5-[1-[(4-phenylphenyl)methyl]tetrazol-5-yl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one

C20H19N5O2 — CID 162633729

IUPAC(3aS,6aR)-5-[1-[(4-phenylphenyl)methyl]tetrazol-5-yl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one
SMILESO=C1OC[C@H]2CN(c3nnnn3Cc3ccc(-c4ccccc4)cc3)C[C@@H]12
InChIInChI=1S/C20H19N5O2/c26-19-18-12-24(11-17(18)13-27-19)20-21-22-23-25(20)10-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,17-18H,10-13H2/t17-,18-/m1/s1
InChIKeyYGGLVLQDHARERE-QZTJIDSGSA-N
MW361.41 g/mol
LogP2.00
Rot. Bonds4

About (3aS,6aR)-5-[1-[(4-phenylphenyl)methyl]tetrazol-5-yl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one

(3aS,6aR)-5-[1-[(4-phenylphenyl)methyl]tetrazol-5-yl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one (PubChem CID 162633729) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is (3aS,6aR)-5-[1-[(4-phenylphenyl)methyl]tetrazol-5-yl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one.

Molecular Properties

Compound Name(3aS,6aR)-5-[1-[(4-phenylphenyl)methyl]tetrazol-5-yl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one
PubChem CID162633729
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name(3aS,6aR)-5-[1-[(4-phenylphenyl)methyl]tetrazol-5-yl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one
SMILESO=C1OC[C@H]2CN(c3nnnn3Cc3ccc(-c4ccccc4)cc3)C[C@@H]12
InChIInChI=1S/C20H19N5O2/c26-19-18-12-24(11-17(18)13-27-19)20-21-22-23-25(20)10-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,17-18H,10-13H2/t17-,18-/m1/s1
InChIKeyYGGLVLQDHARERE-QZTJIDSGSA-N
XLogP2.00
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-5-[1-[(4-phenylphenyl)methyl]tetrazol-5-yl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one?
The IUPAC name of (3aS,6aR)-5-[1-[(4-phenylphenyl)methyl]tetrazol-5-yl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one (CID 162633729) is (3aS,6aR)-5-[1-[(4-phenylphenyl)methyl]tetrazol-5-yl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one.
What is the SMILES notation for (3aS,6aR)-5-[1-[(4-phenylphenyl)methyl]tetrazol-5-yl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one?
The canonical SMILES for (3aS,6aR)-5-[1-[(4-phenylphenyl)methyl]tetrazol-5-yl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one is O=C1OC[C@H]2CN(c3nnnn3Cc3ccc(-c4ccccc4)cc3)C[C@@H]12.
What is the InChIKey of (3aS,6aR)-5-[1-[(4-phenylphenyl)methyl]tetrazol-5-yl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one?
The InChIKey is YGGLVLQDHARERE-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H19N5O2/c26-19-18-12-24(11-17(18)13-27-19)20-21-22-23-25(20)10-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,17-18H,10-13H2/t17-,18-/m1/s1.
What are the key properties of (3aS,6aR)-5-[1-[(4-phenylphenyl)methyl]tetrazol-5-yl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one?
(3aS,6aR)-5-[1-[(4-phenylphenyl)methyl]tetrazol-5-yl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one has a molecular weight of 361.41 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-5-[1-[(4-phenylphenyl)methyl]tetrazol-5-yl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one is sourced from PubChem (CID 162633729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).