2-[(2S)-oxan-2-yl]-N-[(1R)-1-(2H-tetrazol-5-yl)butyl]acetamide

C12H21N5O2 — CID 99640333

IUPAC2-[(2S)-oxan-2-yl]-N-[(1R)-1-(2H-tetrazol-5-yl)butyl]acetamide
SMILESCCC[C@@H](NC(=O)C[C@@H]1CCCCO1)c1nn[nH]n1
InChIInChI=1S/C12H21N5O2/c1-2-5-10(12-14-16-17-15-12)13-11(18)8-9-6-3-4-7-19-9/h9-10H,2-8H2,1H3,(H,13,18)(H,14,15,16,17)/t9-,10+/m0/s1
InChIKeyRHTYBIUEHXIYGQ-VHSXEESVSA-N
MW267.33 g/mol
LogP1.12
Rot. Bonds6

About 2-[(2S)-oxan-2-yl]-N-[(1R)-1-(2H-tetrazol-5-yl)butyl]acetamide

2-[(2S)-oxan-2-yl]-N-[(1R)-1-(2H-tetrazol-5-yl)butyl]acetamide (PubChem CID 99640333) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[(2S)-oxan-2-yl]-N-[(1R)-1-(2H-tetrazol-5-yl)butyl]acetamide.

Molecular Properties

Compound Name2-[(2S)-oxan-2-yl]-N-[(1R)-1-(2H-tetrazol-5-yl)butyl]acetamide
PubChem CID99640333
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name2-[(2S)-oxan-2-yl]-N-[(1R)-1-(2H-tetrazol-5-yl)butyl]acetamide
SMILESCCC[C@@H](NC(=O)C[C@@H]1CCCCO1)c1nn[nH]n1
InChIInChI=1S/C12H21N5O2/c1-2-5-10(12-14-16-17-15-12)13-11(18)8-9-6-3-4-7-19-9/h9-10H,2-8H2,1H3,(H,13,18)(H,14,15,16,17)/t9-,10+/m0/s1
InChIKeyRHTYBIUEHXIYGQ-VHSXEESVSA-N
XLogP1.12
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-2-(oxan-2-yl)acetamide
CID 110627459
2-(oxan-2-yl)-N-pent-1-yn-3-ylacetamide
CID 103579125
2-(oxan-2-yl)-N-pentylacetamide
CID 110415818
N-(1-amino-1-hydroxyiminopropan-2-yl)-2-(oxolan-2-yl)acetamide
CID 77057681
5-methoxy-2-[[2-(oxan-2-yl)acetyl]amino]-5-oxopentanoic acid
CID 82787504
1-[[2-(oxan-2-yl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81158596
N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2-[(2R)-oxan-2-yl]acetamide
CID 97051361
5-methoxy-2-[[2-(oxan-2-yl)acetyl]amino]pentanoic acid
CID 81076491
(3R)-3-(4-fluorophenyl)-3-[[2-[(2R)-oxolan-2-yl]acetyl]amino]propanoic acid
CID 124704080
N-[2-(2-aminoethyl)pentyl]-2-(oxolan-2-yl)acetamide
CID 106116037
N-[2-(2-bromoethyl)pentyl]-2-(oxolan-2-yl)acetamide
CID 106118076
(2S,3S)-3-methyl-2-[[2-(oxolan-2-yl)acetyl]amino]pentanoic acid
CID 65157376

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-oxan-2-yl]-N-[(1R)-1-(2H-tetrazol-5-yl)butyl]acetamide?
The IUPAC name of 2-[(2S)-oxan-2-yl]-N-[(1R)-1-(2H-tetrazol-5-yl)butyl]acetamide (CID 99640333) is 2-[(2S)-oxan-2-yl]-N-[(1R)-1-(2H-tetrazol-5-yl)butyl]acetamide.
What is the SMILES notation for 2-[(2S)-oxan-2-yl]-N-[(1R)-1-(2H-tetrazol-5-yl)butyl]acetamide?
The canonical SMILES for 2-[(2S)-oxan-2-yl]-N-[(1R)-1-(2H-tetrazol-5-yl)butyl]acetamide is CCC[C@@H](NC(=O)C[C@@H]1CCCCO1)c1nn[nH]n1.
What is the InChIKey of 2-[(2S)-oxan-2-yl]-N-[(1R)-1-(2H-tetrazol-5-yl)butyl]acetamide?
The InChIKey is RHTYBIUEHXIYGQ-VHSXEESVSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-2-5-10(12-14-16-17-15-12)13-11(18)8-9-6-3-4-7-19-9/h9-10H,2-8H2,1H3,(H,13,18)(H,14,15,16,17)/t9-,10+/m0/s1.
What are the key properties of 2-[(2S)-oxan-2-yl]-N-[(1R)-1-(2H-tetrazol-5-yl)butyl]acetamide?
2-[(2S)-oxan-2-yl]-N-[(1R)-1-(2H-tetrazol-5-yl)butyl]acetamide has a molecular weight of 267.33 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-oxan-2-yl]-N-[(1R)-1-(2H-tetrazol-5-yl)butyl]acetamide is sourced from PubChem (CID 99640333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).