N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide

C18H17N5O4 — CID 9379967

IUPACN-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide
SMILESO=C(Cn1nnn(-c2ccccc2)c1=O)NC[C@@H]1COc2ccccc2O1
InChIInChI=1S/C18H17N5O4/c24-17(19-10-14-12-26-15-8-4-5-9-16(15)27-14)11-22-18(25)23(21-20-22)13-6-2-1-3-7-13/h1-9,14H,10-12H2,(H,19,24)/t14-/m1/s1
InChIKeyFJXMFCIIUXIJMM-CQSZACIVSA-N
MW367.37 g/mol
LogP0.39
Rot. Bonds5

About N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide

N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide (PubChem CID 9379967) has the molecular formula C18H17N5O4 and a molecular weight of 367.37 g/mol. Its IUPAC name is N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide
PubChem CID9379967
Molecular FormulaC18H17N5O4
Molecular Weight367.37 g/mol
Exact Mass367.13
IUPAC NameN-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide
SMILESO=C(Cn1nnn(-c2ccccc2)c1=O)NC[C@@H]1COc2ccccc2O1
InChIInChI=1S/C18H17N5O4/c24-17(19-10-14-12-26-15-8-4-5-9-16(15)27-14)11-22-18(25)23(21-20-22)13-6-2-1-3-7-13/h1-9,14H,10-12H2,(H,19,24)/t14-/m1/s1
InChIKeyFJXMFCIIUXIJMM-CQSZACIVSA-N
XLogP0.39
TPSA100.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[(2S)-oxolan-2-yl]methyl]-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide
CID 9379923
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CID 29417051
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 7545128
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetamide
CID 3969432
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 2450411
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(methylamino)acetamide
CID 60686684
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 7334544
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide
CID 98118099
N-[2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxoethyl]-2-phenylacetamide
CID 41088932
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 6938717
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 5185790
3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 1251106

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide?
The IUPAC name of N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide (CID 9379967) is N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide.
What is the SMILES notation for N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide?
The canonical SMILES for N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide is O=C(Cn1nnn(-c2ccccc2)c1=O)NC[C@@H]1COc2ccccc2O1.
What is the InChIKey of N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide?
The InChIKey is FJXMFCIIUXIJMM-CQSZACIVSA-N. The full InChI is InChI=1S/C18H17N5O4/c24-17(19-10-14-12-26-15-8-4-5-9-16(15)27-14)11-22-18(25)23(21-20-22)13-6-2-1-3-7-13/h1-9,14H,10-12H2,(H,19,24)/t14-/m1/s1.
What are the key properties of N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide?
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide has a molecular weight of 367.37 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide is sourced from PubChem (CID 9379967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).