N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide

C15H15N5O3 — CID 16802504

IUPACN-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCOc1cccc(-c2nnc(NC(=O)c3cc(C)nn3C)o2)c1
InChIInChI=1S/C15H15N5O3/c1-9-7-12(20(2)19-9)13(21)16-15-18-17-14(23-15)10-5-4-6-11(8-10)22-3/h4-8H,1-3H3,(H,16,18,21)
InChIKeyORFVLLFTJDJRIO-UHFFFAOYSA-N
MW313.32 g/mol
LogP2.04
Rot. Bonds4

About N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide

N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 16802504) has the molecular formula C15H15N5O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID16802504
Molecular FormulaC15H15N5O3
Molecular Weight313.32 g/mol
Exact Mass313.12
IUPAC NameN-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCOc1cccc(-c2nnc(NC(=O)c3cc(C)nn3C)o2)c1
InChIInChI=1S/C15H15N5O3/c1-9-7-12(20(2)19-9)13(21)16-15-18-17-14(23-15)10-5-4-6-11(8-10)22-3/h4-8H,1-3H3,(H,16,18,21)
InChIKeyORFVLLFTJDJRIO-UHFFFAOYSA-N
XLogP2.04
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylbenzamide
CID 4064257
2,5-dimethoxy-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16848805
N-(3-methoxyphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 19481236
N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 5050382
2,5-dimethyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrazole-3-carboxamide
CID 16861426
N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylsulfonylbenzamide
CID 43981074
N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 40959640
3-butoxy-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4525703
2-(4-chlorophenyl)sulfanyl-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 7254642
methyl 5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619027
N-tert-butyl-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 110456066
5-(3-methoxyphenyl)-N-(2-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391928

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide (CID 16802504) is N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide is COc1cccc(-c2nnc(NC(=O)c3cc(C)nn3C)o2)c1.
What is the InChIKey of N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is ORFVLLFTJDJRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3/c1-9-7-12(20(2)19-9)13(21)16-15-18-17-14(23-15)10-5-4-6-11(8-10)22-3/h4-8H,1-3H3,(H,16,18,21).
What are the key properties of N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide?
N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 313.32 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 16802504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).