N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide

C17H16N4O3 — CID 90503346

IUPACN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
SMILESCc1noc(CNC(=O)C2(c3cc(-c4ccccc4)on3)CC2)n1
InChIInChI=1S/C17H16N4O3/c1-11-19-15(24-20-11)10-18-16(22)17(7-8-17)14-9-13(23-21-14)12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3,(H,18,22)
InChIKeyJYQZTXOPIZXDRC-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.38
Rot. Bonds5

About N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide

N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide (PubChem CID 90503346) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
PubChem CID90503346
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
SMILESCc1noc(CNC(=O)C2(c3cc(-c4ccccc4)on3)CC2)n1
InChIInChI=1S/C17H16N4O3/c1-11-19-15(24-20-11)10-18-16(22)17(7-8-17)14-9-13(23-21-14)12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3,(H,18,22)
InChIKeyJYQZTXOPIZXDRC-UHFFFAOYSA-N
XLogP2.38
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]cyclopropane-1-carboxamide
CID 90502766
N-[2-(dimethylamino)ethyl]-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90503128
1-(5-phenyl-1,2-oxazol-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 90503338
N-[2-(2-methylimidazol-1-yl)ethyl]-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90503059
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90503060
1-(5-phenyl-1,2-oxazol-3-yl)-N-(2-thiophen-2-ylethyl)cyclopropane-1-carboxamide
CID 90503329
N-(2-methylsulfanylphenyl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90503194
1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
CID 90504356
1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-phenoxyethyl)cyclopropane-1-carboxamide
CID 90504543
N-(2-ethoxyphenyl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90503191
N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90503347
N-[(2-chlorophenyl)methyl]-1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90504040

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide (CID 90503346) is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide is Cc1noc(CNC(=O)C2(c3cc(-c4ccccc4)on3)CC2)n1.
What is the InChIKey of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is JYQZTXOPIZXDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-11-19-15(24-20-11)10-18-16(22)17(7-8-17)14-9-13(23-21-14)12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3,(H,18,22).
What are the key properties of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(5-phenyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 90503346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).