(2R)-2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide

C18H17N5O2 — CID 126453641

IUPAC(2R)-2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESC[C@@H]1Cc2cc(C(=O)NCc3nnnn3-c3ccccc3)ccc2O1
InChIInChI=1S/C18H17N5O2/c1-12-9-14-10-13(7-8-16(14)25-12)18(24)19-11-17-20-21-22-23(17)15-5-3-2-4-6-15/h2-8,10,12H,9,11H2,1H3,(H,19,24)/t12-/m1/s1
InChIKeyNMFROGHJLUHJAH-GFCCVEGCSA-N
MW335.37 g/mol
LogP1.92
Rot. Bonds4

About (2R)-2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide

(2R)-2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 126453641) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is (2R)-2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound Name(2R)-2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID126453641
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name(2R)-2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESC[C@@H]1Cc2cc(C(=O)NCc3nnnn3-c3ccccc3)ccc2O1
InChIInChI=1S/C18H17N5O2/c1-12-9-14-10-13(7-8-16(14)25-12)18(24)19-11-17-20-21-22-23(17)15-5-3-2-4-6-15/h2-8,10,12H,9,11H2,1H3,(H,19,24)/t12-/m1/s1
InChIKeyNMFROGHJLUHJAH-GFCCVEGCSA-N
XLogP1.92
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide 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 (2R)-2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of (2R)-2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide (CID 126453641) is (2R)-2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for (2R)-2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for (2R)-2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide is C[C@@H]1Cc2cc(C(=O)NCc3nnnn3-c3ccccc3)ccc2O1.
What is the InChIKey of (2R)-2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is NMFROGHJLUHJAH-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-12-9-14-10-13(7-8-16(14)25-12)18(24)19-11-17-20-21-22-23(17)15-5-3-2-4-6-15/h2-8,10,12H,9,11H2,1H3,(H,19,24)/t12-/m1/s1.
What are the key properties of (2R)-2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
(2R)-2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 335.37 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 126453641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).