N-(oxolan-2-ylmethyl)-2-(tetrazol-1-yl)acetamide

C8H13N5O2 — CID 45148255

IUPACN-(oxolan-2-ylmethyl)-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)NCC1CCCO1
InChIInChI=1S/C8H13N5O2/c14-8(5-13-6-10-11-12-13)9-4-7-2-1-3-15-7/h6-7H,1-5H2,(H,9,14)
InChIKeyOPDCNCVSTBKDAE-UHFFFAOYSA-N
MW211.22 g/mol
LogP-1.03
Rot. Bonds4

About N-(oxolan-2-ylmethyl)-2-(tetrazol-1-yl)acetamide

N-(oxolan-2-ylmethyl)-2-(tetrazol-1-yl)acetamide (PubChem CID 45148255) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-(tetrazol-1-yl)acetamide
PubChem CID45148255
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC NameN-(oxolan-2-ylmethyl)-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)NCC1CCCO1
InChIInChI=1S/C8H13N5O2/c14-8(5-13-6-10-11-12-13)9-4-7-2-1-3-15-7/h6-7H,1-5H2,(H,9,14)
InChIKeyOPDCNCVSTBKDAE-UHFFFAOYSA-N
XLogP-1.03
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-1.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 28285400
2-[5-(1-azepanylmethyl)-1H-tetrazol-1-yl]-N-(tetrahydro-2-furanylmethyl)acetamide
CID 45250508
N-[(3R*,4R*)-4-piperidin-1-yltetrahydrofuran-3-yl]-2-(1H-tetrazol-1-yl)acetamide
CID 91767889
2-(3-nitro-1H-1,2,4-triazol-1-yl)-N-(tetrahydrofuran-2-ylmethyl)acetamide
CID 2859821
2-(3-nitro-1,2,4-triazol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 6991695
2-(3-nitro-1,2,4-triazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7343845
N-ethyl-2-[[2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetyl]amino]acetamide
CID 9388515
N-ethyl-2-[[2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetyl]amino]acetamide
CID 9388520
N-methyl-2-[[2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetyl]amino]acetamide
CID 9388535
N-methyl-2-[[2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetyl]amino]acetamide
CID 9388540
N-methyl-N-[[(2S)-oxolan-2-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 28285399
N-[(4S)-4-methoxypyrrolidin-3-yl]-2-(tetrazol-1-yl)acetamide
CID 43594084

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-(tetrazol-1-yl)acetamide (CID 45148255) is N-(oxolan-2-ylmethyl)-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-(tetrazol-1-yl)acetamide is O=C(Cn1cnnn1)NCC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-(tetrazol-1-yl)acetamide?
The InChIKey is OPDCNCVSTBKDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c14-8(5-13-6-10-11-12-13)9-4-7-2-1-3-15-7/h6-7H,1-5H2,(H,9,14).
What are the key properties of N-(oxolan-2-ylmethyl)-2-(tetrazol-1-yl)acetamide?
N-(oxolan-2-ylmethyl)-2-(tetrazol-1-yl)acetamide has a molecular weight of 211.22 g/mol, XLogP of -1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 45148255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).