5-(methoxymethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,2-oxazole-3-carboxamide

C9H11N5O4 — CID 83093416

IUPAC5-(methoxymethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)Nc2nc(OC)n[nH]2)no1
InChIInChI=1S/C9H11N5O4/c1-16-4-5-3-6(14-18-5)7(15)10-8-11-9(17-2)13-12-8/h3H,4H2,1-2H3,(H2,10,11,12,13,15)
InChIKeyFWUSOYPRMCHRHD-UHFFFAOYSA-N
MW253.22 g/mol
LogP0.20
Rot. Bonds5

About 5-(methoxymethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,2-oxazole-3-carboxamide

5-(methoxymethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,2-oxazole-3-carboxamide (PubChem CID 83093416) has the molecular formula C9H11N5O4 and a molecular weight of 253.22 g/mol. Its IUPAC name is 5-(methoxymethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(methoxymethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,2-oxazole-3-carboxamide
PubChem CID83093416
Molecular FormulaC9H11N5O4
Molecular Weight253.22 g/mol
Exact Mass253.08
IUPAC Name5-(methoxymethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)Nc2nc(OC)n[nH]2)no1
InChIInChI=1S/C9H11N5O4/c1-16-4-5-3-6(14-18-5)7(15)10-8-11-9(17-2)13-12-8/h3H,4H2,1-2H3,(H2,10,11,12,13,15)
InChIKeyFWUSOYPRMCHRHD-UHFFFAOYSA-N
XLogP0.20
TPSA115.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(methoxymethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,2-oxazole-3-carboxamide (CID 83093416) is 5-(methoxymethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(methoxymethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(methoxymethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,2-oxazole-3-carboxamide is COCc1cc(C(=O)Nc2nc(OC)n[nH]2)no1.
What is the InChIKey of 5-(methoxymethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is FWUSOYPRMCHRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O4/c1-16-4-5-3-6(14-18-5)7(15)10-8-11-9(17-2)13-12-8/h3H,4H2,1-2H3,(H2,10,11,12,13,15).
What are the key properties of 5-(methoxymethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,2-oxazole-3-carboxamide?
5-(methoxymethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 253.22 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 83093416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).