2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide;hydrochloride

C10H14ClN5O2 — CID 68801876

IUPAC2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide;hydrochloride
SMILESCCc1n[nH]c(Cc2nc(C)c(C(N)=O)o2)n1.Cl
InChIInChI=1S/C10H13N5O2.ClH/c1-3-6-13-7(15-14-6)4-8-12-5(2)9(17-8)10(11)16;/h3-4H2,1-2H3,(H2,11,16)(H,13,14,15);1H
InChIKeyJVVPBCHBHWCPHE-UHFFFAOYSA-N
MW271.71 g/mol
LogP0.78
Rot. Bonds4

About 2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide;hydrochloride

2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide;hydrochloride (PubChem CID 68801876) has the molecular formula C10H14ClN5O2 and a molecular weight of 271.71 g/mol. Its IUPAC name is 2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide;hydrochloride
PubChem CID68801876
Molecular FormulaC10H14ClN5O2
Molecular Weight271.71 g/mol
Exact Mass271.08
IUPAC Name2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide;hydrochloride
SMILESCCc1n[nH]c(Cc2nc(C)c(C(N)=O)o2)n1.Cl
InChIInChI=1S/C10H13N5O2.ClH/c1-3-6-13-7(15-14-6)4-8-12-5(2)9(17-8)10(11)16;/h3-4H2,1-2H3,(H2,11,16)(H,13,14,15);1H
InChIKeyJVVPBCHBHWCPHE-UHFFFAOYSA-N
XLogP0.78
TPSA110.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

2-ethyl-4-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,3-oxazole-5-carboxamide
CID 132376554
(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)-[(3S)-3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
CID 164638204
4-methyl-2-propan-2-yl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-1,3-oxazole-5-carboxamide
CID 137975858
N-[2,2-difluoro-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 137982332
2,4-dimethyl-N-[1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1,3-oxazole-5-carboxamide
CID 154846277
2-ethyl-4-methyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,3-oxazole-5-carboxamide
CID 56742629
2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-4-methyl-1,3-oxazole-5-carbonitrile
CID 57571466
ethyl 2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-4-methyl-1,3-oxazole-5-carboxylate
CID 57571497
2-(5-ethyl-1H-[1,2,4]triazol-3-ylmethyl)-4-methyl-oxazole-5-carboxylic acid amide
CID 57571563
[2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-4-methyl-1,3-oxazol-5-yl]methanamine
CID 57571568
[2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-4-methyl-1,3-oxazol-5-yl]methanamine;hydrochloride
CID 68801878
2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 68802537

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide;hydrochloride?
The IUPAC name of 2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide;hydrochloride (CID 68801876) is 2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide;hydrochloride?
The canonical SMILES for 2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide;hydrochloride is CCc1n[nH]c(Cc2nc(C)c(C(N)=O)o2)n1.Cl.
What is the InChIKey of 2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide;hydrochloride?
The InChIKey is JVVPBCHBHWCPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2.ClH/c1-3-6-13-7(15-14-6)4-8-12-5(2)9(17-8)10(11)16;/h3-4H2,1-2H3,(H2,11,16)(H,13,14,15);1H.
What are the key properties of 2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide;hydrochloride?
2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide;hydrochloride has a molecular weight of 271.71 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 68801876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).