2-(5-aminotetrazol-1-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]acetamide

C14H17FN6O3 — CID 91782920

IUPAC2-(5-aminotetrazol-1-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]acetamide
SMILESNc1nnnn1CC(=O)N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1
InChIInChI=1S/C14H17FN6O3/c15-9-2-1-3-10(6-9)24-12-4-5-23-8-11(12)17-13(22)7-21-14(16)18-19-20-21/h1-3,6,11-12H,4-5,7-8H2,(H,17,22)(H2,16,18,20)/t11-,12+/m1/s1
InChIKeyZVXSRECZMNULOA-NEPJUHHUSA-N
MW336.33 g/mol
LogP-0.25
Rot. Bonds5

About 2-(5-aminotetrazol-1-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]acetamide

2-(5-aminotetrazol-1-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]acetamide (PubChem CID 91782920) has the molecular formula C14H17FN6O3 and a molecular weight of 336.33 g/mol. Its IUPAC name is 2-(5-aminotetrazol-1-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]acetamide.

Molecular Properties

Compound Name2-(5-aminotetrazol-1-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]acetamide
PubChem CID91782920
Molecular FormulaC14H17FN6O3
Molecular Weight336.33 g/mol
Exact Mass336.13
IUPAC Name2-(5-aminotetrazol-1-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]acetamide
SMILESNc1nnnn1CC(=O)N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1
InChIInChI=1S/C14H17FN6O3/c15-9-2-1-3-10(6-9)24-12-4-5-23-8-11(12)17-13(22)7-21-14(16)18-19-20-21/h1-3,6,11-12H,4-5,7-8H2,(H,17,22)(H2,16,18,20)/t11-,12+/m1/s1
InChIKeyZVXSRECZMNULOA-NEPJUHHUSA-N
XLogP-0.25
TPSA117.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.33
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(5-aminotetrazol-1-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]acetamide?
The IUPAC name of 2-(5-aminotetrazol-1-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]acetamide (CID 91782920) is 2-(5-aminotetrazol-1-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]acetamide.
What is the SMILES notation for 2-(5-aminotetrazol-1-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]acetamide?
The canonical SMILES for 2-(5-aminotetrazol-1-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]acetamide is Nc1nnnn1CC(=O)N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1.
What is the InChIKey of 2-(5-aminotetrazol-1-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]acetamide?
The InChIKey is ZVXSRECZMNULOA-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H17FN6O3/c15-9-2-1-3-10(6-9)24-12-4-5-23-8-11(12)17-13(22)7-21-14(16)18-19-20-21/h1-3,6,11-12H,4-5,7-8H2,(H,17,22)(H2,16,18,20)/t11-,12+/m1/s1.
What are the key properties of 2-(5-aminotetrazol-1-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]acetamide?
2-(5-aminotetrazol-1-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]acetamide has a molecular weight of 336.33 g/mol, XLogP of -0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminotetrazol-1-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]acetamide is sourced from PubChem (CID 91782920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).