N-[2-methyl-4-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetamide

C16H22N4O2 — CID 34284461

IUPACN-[2-methyl-4-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N[C@H](C)c2nc(C(C)C)no2)cc1C
InChIInChI=1S/C16H22N4O2/c1-9(2)15-19-16(22-20-15)11(4)17-13-6-7-14(10(3)8-13)18-12(5)21/h6-9,11,17H,1-5H3,(H,18,21)/t11-/m1/s1
InChIKeyCRIQWMRTVQAQDL-LLVKDONJSA-N
MW302.38 g/mol
LogP3.63
Rot. Bonds5

About N-[2-methyl-4-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetamide

N-[2-methyl-4-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetamide (PubChem CID 34284461) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[2-methyl-4-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methyl-4-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetamide
PubChem CID34284461
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-[2-methyl-4-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N[C@H](C)c2nc(C(C)C)no2)cc1C
InChIInChI=1S/C16H22N4O2/c1-9(2)15-19-16(22-20-15)11(4)17-13-6-7-14(10(3)8-13)18-12(5)21/h6-9,11,17H,1-5H3,(H,18,21)/t11-/m1/s1
InChIKeyCRIQWMRTVQAQDL-LLVKDONJSA-N
XLogP3.63
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methyl-4-[[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetamide
CID 34284466
N-[4-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2-methylphenyl]acetamide
CID 34284484
N-[4-[[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2-methylphenyl]acetamide
CID 34284478
N-[2-methyl-4-(1-pyridin-4-ylethylamino)phenyl]acetamide
CID 43672879
N-[2-methyl-4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]phenyl]acetamide
CID 43672908
N-methyl-N-[4-[[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetamide
CID 95236398
N-[4-(butan-2-ylamino)-2-methylphenyl]acetamide
CID 43672867
N-[2-methyl-4-(pentan-3-ylamino)phenyl]acetamide
CID 43672883
N-[4-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methylphenyl]acetamide
CID 103935529
N-[4-[1-(5-ethylthiophen-2-yl)ethylamino]-2-methylphenyl]acetamide
CID 61334340
N-[4-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide
CID 94113861
4-chloro-N-[4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]benzamide
CID 47485656

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetamide?
The IUPAC name of N-[2-methyl-4-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetamide (CID 34284461) is N-[2-methyl-4-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetamide.
What is the SMILES notation for N-[2-methyl-4-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetamide?
The canonical SMILES for N-[2-methyl-4-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetamide is CC(=O)Nc1ccc(N[C@H](C)c2nc(C(C)C)no2)cc1C.
What is the InChIKey of N-[2-methyl-4-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetamide?
The InChIKey is CRIQWMRTVQAQDL-LLVKDONJSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-9(2)15-19-16(22-20-15)11(4)17-13-6-7-14(10(3)8-13)18-12(5)21/h6-9,11,17H,1-5H3,(H,18,21)/t11-/m1/s1.
What are the key properties of N-[2-methyl-4-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetamide?
N-[2-methyl-4-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetamide has a molecular weight of 302.38 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetamide is sourced from PubChem (CID 34284461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).