2-[5-(4-chloro-3-methylphenyl)-2-ethyl-1,2,4-triazol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C17H18ClN5O2 — CID 155789659

IUPAC2-[5-(4-chloro-3-methylphenyl)-2-ethyl-1,2,4-triazol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCn1nc(-c2ccc(Cl)c(C)c2)nc1CC(=O)Nc1cc(C)on1
InChIInChI=1S/C17H18ClN5O2/c1-4-23-15(9-16(24)19-14-8-11(3)25-22-14)20-17(21-23)12-5-6-13(18)10(2)7-12/h5-8H,4,9H2,1-3H3,(H,19,22,24)
InChIKeyBOTFTZJOGYMAGH-UHFFFAOYSA-N
MW359.82 g/mol
LogP3.40
Rot. Bonds5

About 2-[5-(4-chloro-3-methylphenyl)-2-ethyl-1,2,4-triazol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[5-(4-chloro-3-methylphenyl)-2-ethyl-1,2,4-triazol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 155789659) has the molecular formula C17H18ClN5O2 and a molecular weight of 359.82 g/mol. Its IUPAC name is 2-[5-(4-chloro-3-methylphenyl)-2-ethyl-1,2,4-triazol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[5-(4-chloro-3-methylphenyl)-2-ethyl-1,2,4-triazol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID155789659
Molecular FormulaC17H18ClN5O2
Molecular Weight359.82 g/mol
Exact Mass359.11
IUPAC Name2-[5-(4-chloro-3-methylphenyl)-2-ethyl-1,2,4-triazol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCn1nc(-c2ccc(Cl)c(C)c2)nc1CC(=O)Nc1cc(C)on1
InChIInChI=1S/C17H18ClN5O2/c1-4-23-15(9-16(24)19-14-8-11(3)25-22-14)20-17(21-23)12-5-6-13(18)10(2)7-12/h5-8H,4,9H2,1-3H3,(H,19,22,24)
InChIKeyBOTFTZJOGYMAGH-UHFFFAOYSA-N
XLogP3.40
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.82
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(4-chloro-3-fluorophenyl)-2-ethyl-1,2,4-triazol-3-yl]-N-[(6-methoxy-3-pyridinyl)methyl]acetamide
CID 155789618
3-chloro-6-(ethylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 62165294
N-[2-(2,4-dichlorophenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108952659
2-(3-chloro-4-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110767105
N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-4-ylacetamide
CID 110697404
2-(3-chloro-4-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 51178299
4-(2-chlorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]butanamide
CID 110614657
2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 30664497
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 30662699
1-N-(3,4-dichlorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109050241
N-(5-chloro-2-methylphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108955176
1-ethyl-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide
CID 844731

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chloro-3-methylphenyl)-2-ethyl-1,2,4-triazol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[5-(4-chloro-3-methylphenyl)-2-ethyl-1,2,4-triazol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 155789659) is 2-[5-(4-chloro-3-methylphenyl)-2-ethyl-1,2,4-triazol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[5-(4-chloro-3-methylphenyl)-2-ethyl-1,2,4-triazol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[5-(4-chloro-3-methylphenyl)-2-ethyl-1,2,4-triazol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CCn1nc(-c2ccc(Cl)c(C)c2)nc1CC(=O)Nc1cc(C)on1.
What is the InChIKey of 2-[5-(4-chloro-3-methylphenyl)-2-ethyl-1,2,4-triazol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is BOTFTZJOGYMAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O2/c1-4-23-15(9-16(24)19-14-8-11(3)25-22-14)20-17(21-23)12-5-6-13(18)10(2)7-12/h5-8H,4,9H2,1-3H3,(H,19,22,24).
What are the key properties of 2-[5-(4-chloro-3-methylphenyl)-2-ethyl-1,2,4-triazol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[5-(4-chloro-3-methylphenyl)-2-ethyl-1,2,4-triazol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 359.82 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chloro-3-methylphenyl)-2-ethyl-1,2,4-triazol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 155789659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).