2-[(2S,4S)-2-propan-2-yloxan-4-yl]-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide

C17H23N5O2 — CID 125137305

IUPAC2-[(2S,4S)-2-propan-2-yloxan-4-yl]-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
SMILESCC(C)[C@@H]1C[C@@H](CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CCO1
InChIInChI=1S/C17H23N5O2/c1-11(2)15-9-12(7-8-24-15)10-16(23)18-14-5-3-13(4-6-14)17-19-21-22-20-17/h3-6,11-12,15H,7-10H2,1-2H3,(H,18,23)(H,19,20,21,22)/t12-,15-/m0/s1
InChIKeyGTEGTKTZBGTVDI-WFASDCNBSA-N
MW329.40 g/mol
LogP2.65
Rot. Bonds5

About 2-[(2S,4S)-2-propan-2-yloxan-4-yl]-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide

2-[(2S,4S)-2-propan-2-yloxan-4-yl]-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide (PubChem CID 125137305) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[(2S,4S)-2-propan-2-yloxan-4-yl]-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(2S,4S)-2-propan-2-yloxan-4-yl]-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
PubChem CID125137305
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name2-[(2S,4S)-2-propan-2-yloxan-4-yl]-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
SMILESCC(C)[C@@H]1C[C@@H](CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CCO1
InChIInChI=1S/C17H23N5O2/c1-11(2)15-9-12(7-8-24-15)10-16(23)18-14-5-3-13(4-6-14)17-19-21-22-20-17/h3-6,11-12,15H,7-10H2,1-2H3,(H,18,23)(H,19,20,21,22)/t12-,15-/m0/s1
InChIKeyGTEGTKTZBGTVDI-WFASDCNBSA-N
XLogP2.65
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4S)-2-propan-2-yloxan-4-yl]-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide?
The IUPAC name of 2-[(2S,4S)-2-propan-2-yloxan-4-yl]-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide (CID 125137305) is 2-[(2S,4S)-2-propan-2-yloxan-4-yl]-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide.
What is the SMILES notation for 2-[(2S,4S)-2-propan-2-yloxan-4-yl]-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide?
The canonical SMILES for 2-[(2S,4S)-2-propan-2-yloxan-4-yl]-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide is CC(C)[C@@H]1C[C@@H](CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CCO1.
What is the InChIKey of 2-[(2S,4S)-2-propan-2-yloxan-4-yl]-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide?
The InChIKey is GTEGTKTZBGTVDI-WFASDCNBSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-11(2)15-9-12(7-8-24-15)10-16(23)18-14-5-3-13(4-6-14)17-19-21-22-20-17/h3-6,11-12,15H,7-10H2,1-2H3,(H,18,23)(H,19,20,21,22)/t12-,15-/m0/s1.
What are the key properties of 2-[(2S,4S)-2-propan-2-yloxan-4-yl]-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide?
2-[(2S,4S)-2-propan-2-yloxan-4-yl]-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide has a molecular weight of 329.40 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4S)-2-propan-2-yloxan-4-yl]-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 125137305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).