N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]formamide

C11H11N3O3 — CID 168650811

IUPACN-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]formamide
SMILESCOc1ccc(-c2nnc(C)o2)cc1NC=O
InChIInChI=1S/C11H11N3O3/c1-7-13-14-11(17-7)8-3-4-10(16-2)9(5-8)12-6-15/h3-6H,1-2H3,(H,12,15)
InChIKeyODRWDPXNBAQEDQ-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.62
Rot. Bonds4

About N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]formamide

N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]formamide (PubChem CID 168650811) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]formamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]formamide
PubChem CID168650811
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC NameN-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]formamide
SMILESCOc1ccc(-c2nnc(C)o2)cc1NC=O
InChIInChI=1S/C11H11N3O3/c1-7-13-14-11(17-7)8-3-4-10(16-2)9(5-8)12-6-15/h3-6H,1-2H3,(H,12,15)
InChIKeyODRWDPXNBAQEDQ-UHFFFAOYSA-N
XLogP1.62
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]formamide
CID 168653266
2-(1,3-dihydroisoindol-2-yl)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 131912300
3-(methanesulfonamido)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 131925703
1-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(2-pyrrolidin-1-ylethyl)urea
CID 72919615
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 131947019
2-(3,4-dimethylphenyl)-5-methyl-1,3,4-oxadiazole
CID 53017476
N-(5-chloro-2-methoxyphenyl)-2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 53032212
2-(3,4-diethoxyphenyl)-5-methyl-1,3,4-oxadiazole
CID 71563513
N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(methylsulfanylmethyl)piperidine-1-carboxamide
CID 72855924
2-(3,4-dimethoxyphenyl)-5-iodo-1,3,4-oxadiazole
CID 114771479
2,5-bis(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazole
CID 95909464
N-(4-methoxy-3-methylphenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 10273164

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]formamide?
The IUPAC name of N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]formamide (CID 168650811) is N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]formamide.
What is the SMILES notation for N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]formamide?
The canonical SMILES for N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]formamide is COc1ccc(-c2nnc(C)o2)cc1NC=O.
What is the InChIKey of N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]formamide?
The InChIKey is ODRWDPXNBAQEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-7-13-14-11(17-7)8-3-4-10(16-2)9(5-8)12-6-15/h3-6H,1-2H3,(H,12,15).
What are the key properties of N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]formamide?
N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]formamide has a molecular weight of 233.23 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]formamide is sourced from PubChem (CID 168650811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).