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

C16H22N4O2 — CID 47077684

IUPACN,N-dimethyl-2-[2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide
SMILESCC(C)c1noc(CNc2ccccc2CC(=O)N(C)C)n1
InChIInChI=1S/C16H22N4O2/c1-11(2)16-18-14(22-19-16)10-17-13-8-6-5-7-12(13)9-15(21)20(3)4/h5-8,11,17H,9-10H2,1-4H3
InChIKeyIRILROJPBJSSTN-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.44
Rot. Bonds6

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

N,N-dimethyl-2-[2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide (PubChem CID 47077684) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide
PubChem CID47077684
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN,N-dimethyl-2-[2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide
SMILESCC(C)c1noc(CNc2ccccc2CC(=O)N(C)C)n1
InChIInChI=1S/C16H22N4O2/c1-11(2)16-18-14(22-19-16)10-17-13-8-6-5-7-12(13)9-15(21)20(3)4/h5-8,11,17H,9-10H2,1-4H3
InChIKeyIRILROJPBJSSTN-UHFFFAOYSA-N
XLogP2.44
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-1-[[cyano(methyl)amino]-methylamino]-4-methyl-1-oxopentan-2-yl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 50994137
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)aniline
CID 22493359
2-ethyl-N-[3-fluoro-4-[4-[phenyl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]phenyl]butanamide
CID 67678347
2-ethyl-N-[3-fluoro-4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]piperazin-1-yl]phenyl]butanamide
CID 69670197
2-ethyl-N-(4-{4-[(3-ethyl-[1,2,4]-oxadiazol-5-yl)-phenyl-methyl]-piperazin-1-yl}-3-fluoro-phenyl)-butyramide
CID 69670211
N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-phenylamine
CID 752359
1-{[3-(2-Fluorobenzyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(2-methylphenyl)piperazine
CID 16190640
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'-(4-fluorophenyl)-N-methyl-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}urea
CID 6461872

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide?
The IUPAC name of N,N-dimethyl-2-[2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide (CID 47077684) is N,N-dimethyl-2-[2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide is CC(C)c1noc(CNc2ccccc2CC(=O)N(C)C)n1.
What is the InChIKey of N,N-dimethyl-2-[2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide?
The InChIKey is IRILROJPBJSSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-11(2)16-18-14(22-19-16)10-17-13-8-6-5-7-12(13)9-15(21)20(3)4/h5-8,11,17H,9-10H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide?
N,N-dimethyl-2-[2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide has a molecular weight of 302.38 g/mol, XLogP of 2.44, 6 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-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide is sourced from PubChem (CID 47077684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).