N-[3-(1-methyltetrazol-5-yl)phenyl]-4-(oxolan-2-ylmethoxy)benzamide

C20H21N5O3 — CID 42932560

IUPACN-[3-(1-methyltetrazol-5-yl)phenyl]-4-(oxolan-2-ylmethoxy)benzamide
SMILESCn1nnnc1-c1cccc(NC(=O)c2ccc(OCC3CCCO3)cc2)c1
InChIInChI=1S/C20H21N5O3/c1-25-19(22-23-24-25)15-4-2-5-16(12-15)21-20(26)14-7-9-17(10-8-14)28-13-18-6-3-11-27-18/h2,4-5,7-10,12,18H,3,6,11,13H2,1H3,(H,21,26)
InChIKeyXFGURXXEZYXUKX-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.69
Rot. Bonds6

About N-[3-(1-methyltetrazol-5-yl)phenyl]-4-(oxolan-2-ylmethoxy)benzamide

N-[3-(1-methyltetrazol-5-yl)phenyl]-4-(oxolan-2-ylmethoxy)benzamide (PubChem CID 42932560) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[3-(1-methyltetrazol-5-yl)phenyl]-4-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[3-(1-methyltetrazol-5-yl)phenyl]-4-(oxolan-2-ylmethoxy)benzamide
PubChem CID42932560
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC NameN-[3-(1-methyltetrazol-5-yl)phenyl]-4-(oxolan-2-ylmethoxy)benzamide
SMILESCn1nnnc1-c1cccc(NC(=O)c2ccc(OCC3CCCO3)cc2)c1
InChIInChI=1S/C20H21N5O3/c1-25-19(22-23-24-25)15-4-2-5-16(12-15)21-20(26)14-7-9-17(10-8-14)28-13-18-6-3-11-27-18/h2,4-5,7-10,12,18H,3,6,11,13H2,1H3,(H,21,26)
InChIKeyXFGURXXEZYXUKX-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-[[(2S)-oxolan-2-yl]methoxy]-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 8895411
4-tert-butyl-N-[3-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]phenyl]benzamide
CID 17232441
4-(oxolan-2-ylmethoxy)-N-[3-(propanoylamino)phenyl]benzamide
CID 17222424
N-(3,4-dimethylphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 42580258
N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-4-phenylbenzamide
CID 9294955
3-(1-methyltetrazol-5-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 75767622
4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 4786441
4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 4957909
N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
4-(oxolan-2-ylmethoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 4314126
N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]pyridine-4-carboxamide
CID 7447165
methyl 1,3-dimethyl-5-[[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]amino]indole-2-carboxylate
CID 70968014

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methyltetrazol-5-yl)phenyl]-4-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-[3-(1-methyltetrazol-5-yl)phenyl]-4-(oxolan-2-ylmethoxy)benzamide (CID 42932560) is N-[3-(1-methyltetrazol-5-yl)phenyl]-4-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[3-(1-methyltetrazol-5-yl)phenyl]-4-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-[3-(1-methyltetrazol-5-yl)phenyl]-4-(oxolan-2-ylmethoxy)benzamide is Cn1nnnc1-c1cccc(NC(=O)c2ccc(OCC3CCCO3)cc2)c1.
What is the InChIKey of N-[3-(1-methyltetrazol-5-yl)phenyl]-4-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is XFGURXXEZYXUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-25-19(22-23-24-25)15-4-2-5-16(12-15)21-20(26)14-7-9-17(10-8-14)28-13-18-6-3-11-27-18/h2,4-5,7-10,12,18H,3,6,11,13H2,1H3,(H,21,26).
What are the key properties of N-[3-(1-methyltetrazol-5-yl)phenyl]-4-(oxolan-2-ylmethoxy)benzamide?
N-[3-(1-methyltetrazol-5-yl)phenyl]-4-(oxolan-2-ylmethoxy)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 N-[3-(1-methyltetrazol-5-yl)phenyl]-4-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 42932560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).