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

C14H18N4O2 — CID 47409578

IUPACN,N-dimethyl-2-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide
SMILESCc1noc(CNc2ccccc2CC(=O)N(C)C)n1
InChIInChI=1S/C14H18N4O2/c1-10-16-13(20-17-10)9-15-12-7-5-4-6-11(12)8-14(19)18(2)3/h4-7,15H,8-9H2,1-3H3
InChIKeyJSTYEZHQLNXYGZ-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.62
Rot. Bonds5

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

N,N-dimethyl-2-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide (PubChem CID 47409578) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide
PubChem CID47409578
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN,N-dimethyl-2-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide
SMILESCc1noc(CNc2ccccc2CC(=O)N(C)C)n1
InChIInChI=1S/C14H18N4O2/c1-10-16-13(20-17-10)9-15-12-7-5-4-6-11(12)8-14(19)18(2)3/h4-7,15H,8-9H2,1-3H3
InChIKeyJSTYEZHQLNXYGZ-UHFFFAOYSA-N
XLogP1.62
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)aniline
CID 22493359
2-(3-acetamido-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 44275012
(2R,3R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-N'-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(3,3,3-trifluoropropyl)butanediamide
CID 118732183
1-[(3-Benzyl-1,2,4-oxadiazol-5-yl)methyl]-4-(2-methylphenyl)piperazine
CID 16190854
2-(4-methylanilino)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide
CID 71662944
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 752352
N-(4-ethylphenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amine
CID 752353
Sdccgsbi-0661730.P001
CID 2998810
3-[3-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-benzylpropanamide
CID 25269285
2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 42946051
N-(2,3-dimethylphenyl)-2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]acetamide
CID 42946934
N-(4-bromo-2-methylphenyl)-2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]acetamide
CID 42946951

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide?
The IUPAC name of N,N-dimethyl-2-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide (CID 47409578) is N,N-dimethyl-2-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide is Cc1noc(CNc2ccccc2CC(=O)N(C)C)n1.
What is the InChIKey of N,N-dimethyl-2-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide?
The InChIKey is JSTYEZHQLNXYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10-16-13(20-17-10)9-15-12-7-5-4-6-11(12)8-14(19)18(2)3/h4-7,15H,8-9H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide?
N,N-dimethyl-2-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide has a molecular weight of 274.32 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide is sourced from PubChem (CID 47409578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).