5-[(2-methoxy-4-methylphenoxy)methyl]-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide

C16H17N5O4 — CID 56760139

IUPAC5-[(2-methoxy-4-methylphenoxy)methyl]-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCOc1cc(C)ccc1OCc1cc(C(=O)NCc2ncn[nH]2)no1
InChIInChI=1S/C16H17N5O4/c1-10-3-4-13(14(5-10)23-2)24-8-11-6-12(21-25-11)16(22)17-7-15-18-9-19-20-15/h3-6,9H,7-8H2,1-2H3,(H,17,22)(H,18,19,20)
InChIKeyVDXPNGXANXOETO-UHFFFAOYSA-N
MW343.34 g/mol
LogP1.62
Rot. Bonds7

About 5-[(2-methoxy-4-methylphenoxy)methyl]-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide

5-[(2-methoxy-4-methylphenoxy)methyl]-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 56760139) has the molecular formula C16H17N5O4 and a molecular weight of 343.34 g/mol. Its IUPAC name is 5-[(2-methoxy-4-methylphenoxy)methyl]-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2-methoxy-4-methylphenoxy)methyl]-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID56760139
Molecular FormulaC16H17N5O4
Molecular Weight343.34 g/mol
Exact Mass343.13
IUPAC Name5-[(2-methoxy-4-methylphenoxy)methyl]-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCOc1cc(C)ccc1OCc1cc(C(=O)NCc2ncn[nH]2)no1
InChIInChI=1S/C16H17N5O4/c1-10-3-4-13(14(5-10)23-2)24-8-11-6-12(21-25-11)16(22)17-7-15-18-9-19-20-15/h3-6,9H,7-8H2,1-2H3,(H,17,22)(H,18,19,20)
InChIKeyVDXPNGXANXOETO-UHFFFAOYSA-N
XLogP1.62
TPSA115.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[(2-methoxy-4-methylphenoxy)methyl]-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

N-[2-(1H-imidazol-5-yl)ethyl]-5-[(2-methoxy-4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 56707450
4-ethoxy-3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 60982282
2-amino-4,5-dimethoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 61118251
5-[(4-chloro-2-methoxyphenoxy)methyl]-N-[(3,4-difluorophenyl)methyl]-1,2-oxazole-3-carboxamide
CID 42527110
2-(3-methoxy-4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 54885247
5-[(2,5-dimethylphenoxy)methyl]-N-(2-methylsulfanylethyl)-1,2-oxazole-3-carboxamide
CID 126460362
5-[(2-methoxy-4-methylphenoxy)methyl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1,2-oxazole-3-carboxamide
CID 26395325
5-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64523200
N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 20885287
methyl 5-[(2-methoxy-4-methylphenoxy)methyl]furan-2-carboxylate
CID 4193916
N-benzyl-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46003204
5-[(2-chloro-4-methoxyphenoxy)methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 56751364

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxy-4-methylphenoxy)methyl]-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(2-methoxy-4-methylphenoxy)methyl]-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide (CID 56760139) is 5-[(2-methoxy-4-methylphenoxy)methyl]-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(2-methoxy-4-methylphenoxy)methyl]-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(2-methoxy-4-methylphenoxy)methyl]-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide is COc1cc(C)ccc1OCc1cc(C(=O)NCc2ncn[nH]2)no1.
What is the InChIKey of 5-[(2-methoxy-4-methylphenoxy)methyl]-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is VDXPNGXANXOETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O4/c1-10-3-4-13(14(5-10)23-2)24-8-11-6-12(21-25-11)16(22)17-7-15-18-9-19-20-15/h3-6,9H,7-8H2,1-2H3,(H,17,22)(H,18,19,20).
What are the key properties of 5-[(2-methoxy-4-methylphenoxy)methyl]-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide?
5-[(2-methoxy-4-methylphenoxy)methyl]-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 343.34 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxy-4-methylphenoxy)methyl]-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 56760139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).