N-(oxolan-2-ylmethyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide

C16H21N5O2 — CID 75490780

IUPACN-(oxolan-2-ylmethyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide
SMILESCC(C)n1nnc(-c2ccc(C(=O)NCC3CCCO3)cc2)n1
InChIInChI=1S/C16H21N5O2/c1-11(2)21-19-15(18-20-21)12-5-7-13(8-6-12)16(22)17-10-14-4-3-9-23-14/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,17,22)
InChIKeyOBCSWCWAZVCNFM-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.83
Rot. Bonds5

About N-(oxolan-2-ylmethyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide

N-(oxolan-2-ylmethyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide (PubChem CID 75490780) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide
PubChem CID75490780
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN-(oxolan-2-ylmethyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide
SMILESCC(C)n1nnc(-c2ccc(C(=O)NCC3CCCO3)cc2)n1
InChIInChI=1S/C16H21N5O2/c1-11(2)21-19-15(18-20-21)12-5-7-13(8-6-12)16(22)17-10-14-4-3-9-23-14/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,17,22)
InChIKeyOBCSWCWAZVCNFM-UHFFFAOYSA-N
XLogP1.83
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(2R)-oxolan-2-yl]methyl]-4-(2-propan-2-yltetrazol-5-yl)benzamide
CID 97497055
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7713076
N-[[(2R)-oxolan-2-yl]methyl]-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 94812051
N-[[(2S)-oxolan-2-yl]methyl]-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 94812050
N-(oxolan-2-ylmethyl)-1-propan-2-ylpyrazole-3-carboxamide
CID 146131521
N-(oxolan-2-ylmethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50829235
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 875708
4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 723405
4-(2-methylpropoxy)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7394154
4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 2969540
4-(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 125435112

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide (CID 75490780) is N-(oxolan-2-ylmethyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide is CC(C)n1nnc(-c2ccc(C(=O)NCC3CCCO3)cc2)n1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide?
The InChIKey is OBCSWCWAZVCNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-11(2)21-19-15(18-20-21)12-5-7-13(8-6-12)16(22)17-10-14-4-3-9-23-14/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,17,22).
What are the key properties of N-(oxolan-2-ylmethyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide?
N-(oxolan-2-ylmethyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide has a molecular weight of 315.38 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide is sourced from PubChem (CID 75490780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).