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

C14H17N3O2 — CID 30333251

IUPAC2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]propanamide
SMILESCc1noc(-c2ccccc2NC(=O)C(C)(C)C)n1
InChIInChI=1S/C14H17N3O2/c1-9-15-12(19-17-9)10-7-5-6-8-11(10)16-13(18)14(2,3)4/h5-8H,1-4H3,(H,16,18)
InChIKeyGEKLQUDVCIEWGI-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.03
Rot. Bonds2

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

2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]propanamide (PubChem CID 30333251) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]propanamide
PubChem CID30333251
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]propanamide
SMILESCc1noc(-c2ccccc2NC(=O)C(C)(C)C)n1
InChIInChI=1S/C14H17N3O2/c1-9-15-12(19-17-9)10-7-5-6-8-11(10)16-13(18)14(2,3)4/h5-8H,1-4H3,(H,16,18)
InChIKeyGEKLQUDVCIEWGI-UHFFFAOYSA-N
XLogP3.03
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]propanamide
CID 103028833
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-(propan-2-ylamino)acetamide
CID 60841655
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-3-carboxamide
CID 30332842
N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide
CID 120855325
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]ethene-1,1,2-tricarbonitrile
CID 168606681
N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide
CID 45493199
N-[2-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide;hydrochloride
CID 120893398
2-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]furan-3-carboxamide
CID 106853073
4-amino-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]butanamide
CID 80543433
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-2-carboxamide
CID 43701124
2-(4-chlorophenyl)sulfanyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 30333702
2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]sulfamoyl]propanoic acid
CID 61455232

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]propanamide (CID 30333251) is 2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]propanamide is Cc1noc(-c2ccccc2NC(=O)C(C)(C)C)n1.
What is the InChIKey of 2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]propanamide?
The InChIKey is GEKLQUDVCIEWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-15-12(19-17-9)10-7-5-6-8-11(10)16-13(18)14(2,3)4/h5-8H,1-4H3,(H,16,18).
What are the key properties of 2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]propanamide?
2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]propanamide has a molecular weight of 259.31 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]propanamide is sourced from PubChem (CID 30333251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).