N-methyl-5-thiophen-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide

C12H11N5O2S — CID 64510105

IUPACN-methyl-5-thiophen-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCN(Cc1ncn[nH]1)C(=O)c1cc(-c2cccs2)on1
InChIInChI=1S/C12H11N5O2S/c1-17(6-11-13-7-14-15-11)12(18)8-5-9(19-16-8)10-3-2-4-20-10/h2-5,7H,6H2,1H3,(H,13,14,15)
InChIKeyBSSPPRPWVVJOCD-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.79
Rot. Bonds4

About N-methyl-5-thiophen-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide

N-methyl-5-thiophen-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 64510105) has the molecular formula C12H11N5O2S and a molecular weight of 289.32 g/mol. Its IUPAC name is N-methyl-5-thiophen-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-thiophen-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID64510105
Molecular FormulaC12H11N5O2S
Molecular Weight289.32 g/mol
Exact Mass289.06
IUPAC NameN-methyl-5-thiophen-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCN(Cc1ncn[nH]1)C(=O)c1cc(-c2cccs2)on1
InChIInChI=1S/C12H11N5O2S/c1-17(6-11-13-7-14-15-11)12(18)8-5-9(19-16-8)10-3-2-4-20-10/h2-5,7H,6H2,1H3,(H,13,14,15)
InChIKeyBSSPPRPWVVJOCD-UHFFFAOYSA-N
XLogP1.79
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-thiophen-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-methyl-5-thiophen-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide (CID 64510105) is N-methyl-5-thiophen-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-methyl-5-thiophen-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-methyl-5-thiophen-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide is CN(Cc1ncn[nH]1)C(=O)c1cc(-c2cccs2)on1.
What is the InChIKey of N-methyl-5-thiophen-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is BSSPPRPWVVJOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2S/c1-17(6-11-13-7-14-15-11)12(18)8-5-9(19-16-8)10-3-2-4-20-10/h2-5,7H,6H2,1H3,(H,13,14,15).
What are the key properties of N-methyl-5-thiophen-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide?
N-methyl-5-thiophen-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 289.32 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-thiophen-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 64510105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).