N-(5-chloro-2-methylphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide

C11H10ClN5O2 — CID 108511819

IUPACN-(5-chloro-2-methylphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide
SMILESCc1ccc(Cl)cc1NC(=O)C(=O)Nc1ncn[nH]1
InChIInChI=1S/C11H10ClN5O2/c1-6-2-3-7(12)4-8(6)15-9(18)10(19)16-11-13-5-14-17-11/h2-5H,1H3,(H,15,18)(H2,13,14,16,17,19)
InChIKeyBJAUBJXTUODPTG-UHFFFAOYSA-N
MW279.69 g/mol
LogP1.34
Rot. Bonds2

About N-(5-chloro-2-methylphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide

N-(5-chloro-2-methylphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide (PubChem CID 108511819) has the molecular formula C11H10ClN5O2 and a molecular weight of 279.69 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide
PubChem CID108511819
Molecular FormulaC11H10ClN5O2
Molecular Weight279.69 g/mol
Exact Mass279.05
IUPAC NameN-(5-chloro-2-methylphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide
SMILESCc1ccc(Cl)cc1NC(=O)C(=O)Nc1ncn[nH]1
InChIInChI=1S/C11H10ClN5O2/c1-6-2-3-7(12)4-8(6)15-9(18)10(19)16-11-13-5-14-17-11/h2-5H,1H3,(H,15,18)(H2,13,14,16,17,19)
InChIKeyBJAUBJXTUODPTG-UHFFFAOYSA-N
XLogP1.34
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.69
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-(5-chloro-2-methylphenyl)-2-cyano-3-(1H-1,2,4-triazol-5-ylamino)prop-2-enamide
CID 108850125
2-(4-chloro-2-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 720861
N'-(5-chloro-2-methylphenyl)-N-(2,5-difluorophenyl)oxamide
CID 108511873
2-chloro-N-(5-chloro-2-methylphenyl)prop-2-enamide
CID 131001051
N-(2-propan-2-ylphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide
CID 108500578
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
N'-(5-chloro-2-methylphenyl)-N-(2-methylpropyl)oxamide
CID 2218014
N-(2-bromo-4-methylphenyl)-N'-(5-chloro-2-methylphenyl)oxamide
CID 108511860
N-(2-ethoxyphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide
CID 108529879
N-(5-chloro-2-methylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide
CID 108511829
N'-(5-chloro-2-methylphenyl)-N-(4-ethoxyphenyl)oxamide
CID 45000868
N-(5-chloro-2-methylphenyl)-N'-[(E)-(2,4-dichlorophenyl)methylideneamino]oxamide
CID 56698653

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide (CID 108511819) is N-(5-chloro-2-methylphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide is Cc1ccc(Cl)cc1NC(=O)C(=O)Nc1ncn[nH]1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide?
The InChIKey is BJAUBJXTUODPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5O2/c1-6-2-3-7(12)4-8(6)15-9(18)10(19)16-11-13-5-14-17-11/h2-5H,1H3,(H,15,18)(H2,13,14,16,17,19).
What are the key properties of N-(5-chloro-2-methylphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide?
N-(5-chloro-2-methylphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide has a molecular weight of 279.69 g/mol, XLogP of 1.34, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide is sourced from PubChem (CID 108511819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).