4-(2-methyltetrazol-5-yl)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide

C20H21N5O3 — CID 131903658

IUPAC4-(2-methyltetrazol-5-yl)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide
SMILESCn1nnc(-c2ccc(C(=O)Nc3ccccc3OCC3CCCO3)cc2)n1
InChIInChI=1S/C20H21N5O3/c1-25-23-19(22-24-25)14-8-10-15(11-9-14)20(26)21-17-6-2-3-7-18(17)28-13-16-5-4-12-27-16/h2-3,6-11,16H,4-5,12-13H2,1H3,(H,21,26)
InChIKeyKRLFIUKWUMFWDF-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.69
Rot. Bonds6

About 4-(2-methyltetrazol-5-yl)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide

4-(2-methyltetrazol-5-yl)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide (PubChem CID 131903658) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 4-(2-methyltetrazol-5-yl)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-(2-methyltetrazol-5-yl)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide
PubChem CID131903658
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name4-(2-methyltetrazol-5-yl)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide
SMILESCn1nnc(-c2ccc(C(=O)Nc3ccccc3OCC3CCCO3)cc2)n1
InChIInChI=1S/C20H21N5O3/c1-25-23-19(22-24-25)14-8-10-15(11-9-14)20(26)21-17-6-2-3-7-18(17)28-13-16-5-4-12-27-16/h2-3,6-11,16H,4-5,12-13H2,1H3,(H,21,26)
InChIKeyKRLFIUKWUMFWDF-UHFFFAOYSA-N
XLogP2.69
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386200
4-(1,3-oxazol-5-yl)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 131932451
4-chloro-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17170162
N-(2-ethoxyphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 2590932
2-methoxy-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386282
N-[2-(2-methylpropoxy)phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 17222367
3-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-5-carboxamide
CID 43911417
5-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 131932626
N-[2-(oxolan-2-ylmethoxy)phenyl]-3-pyrazol-1-ylbenzamide
CID 131895389
3-acetamido-4-methyl-N-[2-(oxan-2-ylmethoxy)phenyl]benzamide
CID 86835564
2-bromo-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 93083252
2-(diethylamino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54813459

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyltetrazol-5-yl)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide?
The IUPAC name of 4-(2-methyltetrazol-5-yl)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide (CID 131903658) is 4-(2-methyltetrazol-5-yl)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide.
What is the SMILES notation for 4-(2-methyltetrazol-5-yl)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide?
The canonical SMILES for 4-(2-methyltetrazol-5-yl)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide is Cn1nnc(-c2ccc(C(=O)Nc3ccccc3OCC3CCCO3)cc2)n1.
What is the InChIKey of 4-(2-methyltetrazol-5-yl)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide?
The InChIKey is KRLFIUKWUMFWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-25-23-19(22-24-25)14-8-10-15(11-9-14)20(26)21-17-6-2-3-7-18(17)28-13-16-5-4-12-27-16/h2-3,6-11,16H,4-5,12-13H2,1H3,(H,21,26).
What are the key properties of 4-(2-methyltetrazol-5-yl)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide?
4-(2-methyltetrazol-5-yl)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide has a molecular weight of 379.42 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyltetrazol-5-yl)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide is sourced from PubChem (CID 131903658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).