N-[(2S)-oxan-2-yl]oxy-2-[4-(tetrazol-1-yl)phenyl]acetamide

C14H17N5O3 — CID 94821745

IUPACN-[(2S)-oxan-2-yl]oxy-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(-n2cnnn2)cc1)NO[C@H]1CCCCO1
InChIInChI=1S/C14H17N5O3/c20-13(16-22-14-3-1-2-8-21-14)9-11-4-6-12(7-5-11)19-10-15-17-18-19/h4-7,10,14H,1-3,8-9H2,(H,16,20)/t14-/m0/s1
InChIKeyRWEWJZAZZUDWQN-AWEZNQCLSA-N
MW303.32 g/mol
LogP0.78
Rot. Bonds5

About N-[(2S)-oxan-2-yl]oxy-2-[4-(tetrazol-1-yl)phenyl]acetamide

N-[(2S)-oxan-2-yl]oxy-2-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 94821745) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-[(2S)-oxan-2-yl]oxy-2-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(2S)-oxan-2-yl]oxy-2-[4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID94821745
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC NameN-[(2S)-oxan-2-yl]oxy-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(-n2cnnn2)cc1)NO[C@H]1CCCCO1
InChIInChI=1S/C14H17N5O3/c20-13(16-22-14-3-1-2-8-21-14)9-11-4-6-12(7-5-11)19-10-15-17-18-19/h4-7,10,14H,1-3,8-9H2,(H,16,20)/t14-/m0/s1
InChIKeyRWEWJZAZZUDWQN-AWEZNQCLSA-N
XLogP0.78
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenyl)-N-[(2R)-oxan-2-yl]oxyacetamide
CID 94817277
2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-N-[(2R)-oxan-2-yl]oxyacetamide
CID 97211516
N-(oxan-2-yloxy)-2-pyrimidin-5-ylacetamide
CID 154862278
N-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 133138790
N-(2-amino-1-cyclohexylethyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide;hydrochloride
CID 119591477
N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 133266739
N-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 119453289
2-(oxan-3-yl)-2-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]acetic acid
CID 120548158
N-carbamoyl-4-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]cyclohexane-1-carboxamide
CID 167935083
N-cyclohexyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 2090380
N-cyclopentyl-N-phenyl-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 75462753
1-ethyl-1-(oxan-2-ylmethyl)-3-[4-(tetrazol-1-yl)phenyl]urea
CID 72912485

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-oxan-2-yl]oxy-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of N-[(2S)-oxan-2-yl]oxy-2-[4-(tetrazol-1-yl)phenyl]acetamide (CID 94821745) is N-[(2S)-oxan-2-yl]oxy-2-[4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[(2S)-oxan-2-yl]oxy-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for N-[(2S)-oxan-2-yl]oxy-2-[4-(tetrazol-1-yl)phenyl]acetamide is O=C(Cc1ccc(-n2cnnn2)cc1)NO[C@H]1CCCCO1.
What is the InChIKey of N-[(2S)-oxan-2-yl]oxy-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is RWEWJZAZZUDWQN-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H17N5O3/c20-13(16-22-14-3-1-2-8-21-14)9-11-4-6-12(7-5-11)19-10-15-17-18-19/h4-7,10,14H,1-3,8-9H2,(H,16,20)/t14-/m0/s1.
What are the key properties of N-[(2S)-oxan-2-yl]oxy-2-[4-(tetrazol-1-yl)phenyl]acetamide?
N-[(2S)-oxan-2-yl]oxy-2-[4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 303.32 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-oxan-2-yl]oxy-2-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 94821745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).