(2R)-N-[(4S)-2,2-dimethyloxan-4-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide

C16H21N5O2 — CID 95395495

IUPAC(2R)-N-[(4S)-2,2-dimethyloxan-4-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide
SMILESCC1(C)C[C@@H](NC(=O)[C@@H](c2ccccc2)n2cnnn2)CCO1
InChIInChI=1S/C16H21N5O2/c1-16(2)10-13(8-9-23-16)18-15(22)14(21-11-17-19-20-21)12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3,(H,18,22)/t13-,14+/m0/s1
InChIKeyZICMPIYIFKBGPW-UONOGXRCSA-N
MW315.38 g/mol
LogP1.34
Rot. Bonds4

About (2R)-N-[(4S)-2,2-dimethyloxan-4-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide

(2R)-N-[(4S)-2,2-dimethyloxan-4-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide (PubChem CID 95395495) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is (2R)-N-[(4S)-2,2-dimethyloxan-4-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound Name(2R)-N-[(4S)-2,2-dimethyloxan-4-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide
PubChem CID95395495
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name(2R)-N-[(4S)-2,2-dimethyloxan-4-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide
SMILESCC1(C)C[C@@H](NC(=O)[C@@H](c2ccccc2)n2cnnn2)CCO1
InChIInChI=1S/C16H21N5O2/c1-16(2)10-13(8-9-23-16)18-15(22)14(21-11-17-19-20-21)12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3,(H,18,22)/t13-,14+/m0/s1
InChIKeyZICMPIYIFKBGPW-UONOGXRCSA-N
XLogP1.34
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4S)-2,2-dimethyloxan-4-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide?
The IUPAC name of (2R)-N-[(4S)-2,2-dimethyloxan-4-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide (CID 95395495) is (2R)-N-[(4S)-2,2-dimethyloxan-4-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for (2R)-N-[(4S)-2,2-dimethyloxan-4-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for (2R)-N-[(4S)-2,2-dimethyloxan-4-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide is CC1(C)C[C@@H](NC(=O)[C@@H](c2ccccc2)n2cnnn2)CCO1.
What is the InChIKey of (2R)-N-[(4S)-2,2-dimethyloxan-4-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide?
The InChIKey is ZICMPIYIFKBGPW-UONOGXRCSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-16(2)10-13(8-9-23-16)18-15(22)14(21-11-17-19-20-21)12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3,(H,18,22)/t13-,14+/m0/s1.
What are the key properties of (2R)-N-[(4S)-2,2-dimethyloxan-4-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide?
(2R)-N-[(4S)-2,2-dimethyloxan-4-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide has a molecular weight of 315.38 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(4S)-2,2-dimethyloxan-4-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 95395495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).