2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C16H21N5O3 — CID 97465054

IUPAC2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCn1nnnc1COc1ccc(CC(=O)NC[C@@H]2CCCO2)cc1
InChIInChI=1S/C16H21N5O3/c1-21-15(18-19-20-21)11-24-13-6-4-12(5-7-13)9-16(22)17-10-14-3-2-8-23-14/h4-7,14H,2-3,8-11H2,1H3,(H,17,22)/t14-/m0/s1
InChIKeyXHQMZKFKTHZWJT-AWEZNQCLSA-N
MW331.38 g/mol
LogP0.63
Rot. Bonds7

About 2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 97465054) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID97465054
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCn1nnnc1COc1ccc(CC(=O)NC[C@@H]2CCCO2)cc1
InChIInChI=1S/C16H21N5O3/c1-21-15(18-19-20-21)11-24-13-6-4-12(5-7-13)9-16(22)17-10-14-3-2-8-23-14/h4-7,14H,2-3,8-11H2,1H3,(H,17,22)/t14-/m0/s1
InChIKeyXHQMZKFKTHZWJT-AWEZNQCLSA-N
XLogP0.63
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide with MolForge

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Related Compounds

[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate
CID 7771148
4-[(4-tert-butylphenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 6914711
N-(oxolan-2-ylmethyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 18168439
2-(1-methylpyrrol-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110768911
5-[(4-ethoxyphenoxy)methyl]-N-[[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 756937
N-[[(2R)-oxolan-2-yl]methyl]-2-[[5-(phenoxymethyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 25453713
4-[(4-chlorophenoxy)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 895178
4-[(4-bromophenoxy)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1226327
2-(4-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
CID 112991346
2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 110210647
N-(oxolan-2-ylmethyl)-4-(phenoxymethyl)benzamide
CID 24684666
1-[[2-(4-methoxyphenyl)acetyl]amino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 40666280

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 97465054) is 2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is Cn1nnnc1COc1ccc(CC(=O)NC[C@@H]2CCCO2)cc1.
What is the InChIKey of 2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is XHQMZKFKTHZWJT-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-21-15(18-19-20-21)11-24-13-6-4-12(5-7-13)9-16(22)17-10-14-3-2-8-23-14/h4-7,14H,2-3,8-11H2,1H3,(H,17,22)/t14-/m0/s1.
What are the key properties of 2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 331.38 g/mol, XLogP of 0.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 97465054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).