N-(1,2-oxazol-5-ylmethyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide

C10H13N5O2 — CID 114186847

IUPACN-(1,2-oxazol-5-ylmethyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
SMILESCCCc1nc(C(=O)NCc2ccno2)n[nH]1
InChIInChI=1S/C10H13N5O2/c1-2-3-8-13-9(15-14-8)10(16)11-6-7-4-5-12-17-7/h4-5H,2-3,6H2,1H3,(H,11,16)(H,13,14,15)
InChIKeyPHKRDICLBQFAFO-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.68
Rot. Bonds5

About N-(1,2-oxazol-5-ylmethyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide

N-(1,2-oxazol-5-ylmethyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide (PubChem CID 114186847) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is N-(1,2-oxazol-5-ylmethyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,2-oxazol-5-ylmethyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
PubChem CID114186847
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC NameN-(1,2-oxazol-5-ylmethyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
SMILESCCCc1nc(C(=O)NCc2ccno2)n[nH]1
InChIInChI=1S/C10H13N5O2/c1-2-3-8-13-9(15-14-8)10(16)11-6-7-4-5-12-17-7/h4-5H,2-3,6H2,1H3,(H,11,16)(H,13,14,15)
InChIKeyPHKRDICLBQFAFO-UHFFFAOYSA-N
XLogP0.68
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methylpyrazol-3-yl)ethyl]-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 103010377
2-chloro-N-(1,2-oxazol-5-ylmethyl)-6-propylpyridine-4-carboxamide
CID 106415797
N-(2-methylprop-2-enyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 114618480
N-[2-(5-bromothiophen-2-yl)ethyl]-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 106039099
N-(1,2-oxazol-5-ylmethyl)acetamide
CID 103939766
N-(2-methoxyethoxy)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 82721493
2-(methylamino)-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106420098
4-amino-N-(1,2-oxazol-5-ylmethyl)-1H-pyrazole-5-carboxamide
CID 106413481
N-(4-hydroxypentyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 106137463
2-(ethylamino)-2-methyl-N-(1,2-oxazol-5-ylmethyl)propanamide
CID 106417135
1-butyl-3-(1,2-oxazol-5-ylmethyl)urea
CID 106415574
5-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 114180836

Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-5-ylmethyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(1,2-oxazol-5-ylmethyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide (CID 114186847) is N-(1,2-oxazol-5-ylmethyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(1,2-oxazol-5-ylmethyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(1,2-oxazol-5-ylmethyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide is CCCc1nc(C(=O)NCc2ccno2)n[nH]1.
What is the InChIKey of N-(1,2-oxazol-5-ylmethyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is PHKRDICLBQFAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-2-3-8-13-9(15-14-8)10(16)11-6-7-4-5-12-17-7/h4-5H,2-3,6H2,1H3,(H,11,16)(H,13,14,15).
What are the key properties of N-(1,2-oxazol-5-ylmethyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide?
N-(1,2-oxazol-5-ylmethyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 235.25 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-5-ylmethyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 114186847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).