(2S)-N-[(3-methyloxetan-3-yl)methyl]-2-(5-methyltetrazol-1-yl)-2-phenylacetamide

C15H19N5O2 — CID 99973558

IUPAC(2S)-N-[(3-methyloxetan-3-yl)methyl]-2-(5-methyltetrazol-1-yl)-2-phenylacetamide
SMILESCc1nnnn1[C@H](C(=O)NCC1(C)COC1)c1ccccc1
InChIInChI=1S/C15H19N5O2/c1-11-17-18-19-20(11)13(12-6-4-3-5-7-12)14(21)16-8-15(2)9-22-10-15/h3-7,13H,8-10H2,1-2H3,(H,16,21)/t13-/m0/s1
InChIKeyZSXQWPSBWNKYAV-ZDUSSCGKSA-N
MW301.35 g/mol
LogP0.72
Rot. Bonds5

About (2S)-N-[(3-methyloxetan-3-yl)methyl]-2-(5-methyltetrazol-1-yl)-2-phenylacetamide

(2S)-N-[(3-methyloxetan-3-yl)methyl]-2-(5-methyltetrazol-1-yl)-2-phenylacetamide (PubChem CID 99973558) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is (2S)-N-[(3-methyloxetan-3-yl)methyl]-2-(5-methyltetrazol-1-yl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-[(3-methyloxetan-3-yl)methyl]-2-(5-methyltetrazol-1-yl)-2-phenylacetamide
PubChem CID99973558
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name(2S)-N-[(3-methyloxetan-3-yl)methyl]-2-(5-methyltetrazol-1-yl)-2-phenylacetamide
SMILESCc1nnnn1[C@H](C(=O)NCC1(C)COC1)c1ccccc1
InChIInChI=1S/C15H19N5O2/c1-11-17-18-19-20(11)13(12-6-4-3-5-7-12)14(21)16-8-15(2)9-22-10-15/h3-7,13H,8-10H2,1-2H3,(H,16,21)/t13-/m0/s1
InChIKeyZSXQWPSBWNKYAV-ZDUSSCGKSA-N
XLogP0.72
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3-methyloxetan-3-yl)methyl]-2-(5-methyltetrazol-1-yl)-2-phenylacetamide?
The IUPAC name of (2S)-N-[(3-methyloxetan-3-yl)methyl]-2-(5-methyltetrazol-1-yl)-2-phenylacetamide (CID 99973558) is (2S)-N-[(3-methyloxetan-3-yl)methyl]-2-(5-methyltetrazol-1-yl)-2-phenylacetamide.
What is the SMILES notation for (2S)-N-[(3-methyloxetan-3-yl)methyl]-2-(5-methyltetrazol-1-yl)-2-phenylacetamide?
The canonical SMILES for (2S)-N-[(3-methyloxetan-3-yl)methyl]-2-(5-methyltetrazol-1-yl)-2-phenylacetamide is Cc1nnnn1[C@H](C(=O)NCC1(C)COC1)c1ccccc1.
What is the InChIKey of (2S)-N-[(3-methyloxetan-3-yl)methyl]-2-(5-methyltetrazol-1-yl)-2-phenylacetamide?
The InChIKey is ZSXQWPSBWNKYAV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-11-17-18-19-20(11)13(12-6-4-3-5-7-12)14(21)16-8-15(2)9-22-10-15/h3-7,13H,8-10H2,1-2H3,(H,16,21)/t13-/m0/s1.
What are the key properties of (2S)-N-[(3-methyloxetan-3-yl)methyl]-2-(5-methyltetrazol-1-yl)-2-phenylacetamide?
(2S)-N-[(3-methyloxetan-3-yl)methyl]-2-(5-methyltetrazol-1-yl)-2-phenylacetamide has a molecular weight of 301.35 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3-methyloxetan-3-yl)methyl]-2-(5-methyltetrazol-1-yl)-2-phenylacetamide is sourced from PubChem (CID 99973558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).