(2R)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-2-carboxamide

C10H16N4O2 — CID 103850296

IUPAC(2R)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-2-carboxamide
SMILESO=C(NCCCc1ncn[nH]1)[C@H]1CCCO1
InChIInChI=1S/C10H16N4O2/c15-10(8-3-2-6-16-8)11-5-1-4-9-12-7-13-14-9/h7-8H,1-6H2,(H,11,15)(H,12,13,14)/t8-/m1/s1
InChIKeyCZHBTZBOUPBXHS-MRVPVSSYSA-N
MW224.26 g/mol
LogP0.03
Rot. Bonds5

About (2R)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-2-carboxamide

(2R)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-2-carboxamide (PubChem CID 103850296) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is (2R)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-2-carboxamide
PubChem CID103850296
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name(2R)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-2-carboxamide
SMILESO=C(NCCCc1ncn[nH]1)[C@H]1CCCO1
InChIInChI=1S/C10H16N4O2/c15-10(8-3-2-6-16-8)11-5-1-4-9-12-7-13-14-9/h7-8H,1-6H2,(H,11,15)(H,12,13,14)/t8-/m1/s1
InChIKeyCZHBTZBOUPBXHS-MRVPVSSYSA-N
XLogP0.03
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-2-carboxamide with MolForge

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Related Compounds

N-[3-(1H-1,2,4-triazol-5-yl)propyl]morpholine-2-carboxamide
CID 64531342
2-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-3-carboxamide
CID 79758881
4-butyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclohexane-1-carboxamide
CID 64547266
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]oxolane-2-carboxamide
CID 91765036
2,3-dimethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide
CID 64547511
N-(1H-pyrazol-5-ylmethyl)oxolane-2-carboxamide
CID 60977507
(2S)-N-(1H-pyrazol-5-ylmethyl)oxolane-2-carboxamide
CID 103872510
N-[2-(1H-imidazol-2-yl)ethyl]oxane-2-carboxamide
CID 115747744
(2R)-N-pentyloxolane-2-carboxamide
CID 146504537
N-(3-phenoxypropyl)oxolane-2-carboxamide
CID 74588309
N-[3-(1H-1,2,4-triazol-5-yl)propyl]furan-3-carboxamide
CID 64546872
1-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 64532171

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-2-carboxamide (CID 103850296) is (2R)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-2-carboxamide is O=C(NCCCc1ncn[nH]1)[C@H]1CCCO1.
What is the InChIKey of (2R)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-2-carboxamide?
The InChIKey is CZHBTZBOUPBXHS-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H16N4O2/c15-10(8-3-2-6-16-8)11-5-1-4-9-12-7-13-14-9/h7-8H,1-6H2,(H,11,15)(H,12,13,14)/t8-/m1/s1.
What are the key properties of (2R)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-2-carboxamide?
(2R)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-2-carboxamide has a molecular weight of 224.26 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-2-carboxamide is sourced from PubChem (CID 103850296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).