5-(1,2,4-triazol-1-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide

C7H9N5O2 — CID 139909433

IUPAC5-(1,2,4-triazol-1-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESNC(=O)C1=NOC(Cn2cncn2)C1
InChIInChI=1S/C7H9N5O2/c8-7(13)6-1-5(14-11-6)2-12-4-9-3-10-12/h3-5H,1-2H2,(H2,8,13)
InChIKeyPWHSNLBKFCSIOT-UHFFFAOYSA-N
MW195.18 g/mol
LogP-1.09
Rot. Bonds3

About 5-(1,2,4-triazol-1-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide

5-(1,2,4-triazol-1-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 139909433) has the molecular formula C7H9N5O2 and a molecular weight of 195.18 g/mol. Its IUPAC name is 5-(1,2,4-triazol-1-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(1,2,4-triazol-1-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID139909433
Molecular FormulaC7H9N5O2
Molecular Weight195.18 g/mol
Exact Mass195.08
IUPAC Name5-(1,2,4-triazol-1-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESNC(=O)C1=NOC(Cn2cncn2)C1
InChIInChI=1S/C7H9N5O2/c8-7(13)6-1-5(14-11-6)2-12-4-9-3-10-12/h3-5H,1-2H2,(H2,8,13)
InChIKeyPWHSNLBKFCSIOT-UHFFFAOYSA-N
XLogP-1.09
TPSA95.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[(2S)-oxiran-2-yl]methyl]-1,2,4-triazole
CID 42281468
1-[(4,4-dimethyloxetan-2-yl)methyl]-1,2,4-triazole
CID 67791758
1-[[(2R,3R)-3-methyloxiran-2-yl]methyl]-1,2,4-triazole
CID 54253937
4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]benzamide
CID 95323908
1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-1,2,4-triazole
CID 3009122
benzyl 4-(1,2,4-triazol-1-ylmethyl)piperidine-1-carboxylate
CID 75481460
1-[(4-methylcyclohexyl)methyl]-1,2,4-triazole
CID 130166985
2,2,2-trifluoro-1-[5-(1,2,4-triazol-1-ylmethyl)oxolan-2-yl]ethanol
CID 67945175
(2R)-2-phenyl-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 129426089
5-ethyl-3-(1,2,4-triazol-1-yl)-4,5-dihydro-1,2-oxazole
CID 163393821
(2R)-2-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-one
CID 51669378
cis-(1R,3S)-3-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-amine;2,2,2-trifluoroacetic acid
CID 68830379

Frequently Asked Questions

What is the IUPAC name of 5-(1,2,4-triazol-1-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(1,2,4-triazol-1-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 139909433) is 5-(1,2,4-triazol-1-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(1,2,4-triazol-1-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(1,2,4-triazol-1-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide is NC(=O)C1=NOC(Cn2cncn2)C1.
What is the InChIKey of 5-(1,2,4-triazol-1-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is PWHSNLBKFCSIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O2/c8-7(13)6-1-5(14-11-6)2-12-4-9-3-10-12/h3-5H,1-2H2,(H2,8,13).
What are the key properties of 5-(1,2,4-triazol-1-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide?
5-(1,2,4-triazol-1-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 195.18 g/mol, XLogP of -1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,4-triazol-1-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 139909433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).