N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C18H15N5O2S — CID 46354883

IUPACN-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NCCc1nc(-c2ccccc2)n[nH]1)c1cc(-c2cccs2)on1
InChIInChI=1S/C18H15N5O2S/c24-18(13-11-14(25-23-13)15-7-4-10-26-15)19-9-8-16-20-17(22-21-16)12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H,19,24)(H,20,21,22)
InChIKeyDVRKUWIOEOKYDC-UHFFFAOYSA-N
MW365.42 g/mol
LogP3.16
Rot. Bonds6

About N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 46354883) has the molecular formula C18H15N5O2S and a molecular weight of 365.42 g/mol. Its IUPAC name is N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID46354883
Molecular FormulaC18H15N5O2S
Molecular Weight365.42 g/mol
Exact Mass365.09
IUPAC NameN-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NCCc1nc(-c2ccccc2)n[nH]1)c1cc(-c2cccs2)on1
InChIInChI=1S/C18H15N5O2S/c24-18(13-11-14(25-23-13)15-7-4-10-26-15)19-9-8-16-20-17(22-21-16)12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H,19,24)(H,20,21,22)
InChIKeyDVRKUWIOEOKYDC-UHFFFAOYSA-N
XLogP3.16
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 33195789
5-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]pyrazine-2-carboxamide
CID 75508286
N-(2-pyridin-2-ylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 51305009
4-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 53008569
6-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]hexanoic acid
CID 43170031
1-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]benzotriazole-5-carboxamide
CID 86793946
N-butyl-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide;N-(2-phenylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-propyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 159899323
N-[3-[(2-oxo-1H-pyridine-4-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 118877088
N-[2-(4-sulfamoylphenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 18272294
N-[3-[(6-aminopyrazine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 118877092
2-methoxy-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 75508297
3-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 75485072

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 46354883) is N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is O=C(NCCc1nc(-c2ccccc2)n[nH]1)c1cc(-c2cccs2)on1.
What is the InChIKey of N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is DVRKUWIOEOKYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2S/c24-18(13-11-14(25-23-13)15-7-4-10-26-15)19-9-8-16-20-17(22-21-16)12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H,19,24)(H,20,21,22).
What are the key properties of N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 365.42 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46354883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).