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

C16H22N4O2 — CID 95236398

IUPACN-methyl-N-[4-[[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetamide
SMILESCC(=O)N(C)c1ccc(N[C@@H](C)c2nc(C(C)C)no2)cc1
InChIInChI=1S/C16H22N4O2/c1-10(2)15-18-16(22-19-15)11(3)17-13-6-8-14(9-7-13)20(5)12(4)21/h6-11,17H,1-5H3/t11-/m0/s1
InChIKeyZEEXQBMCEQDFIE-NSHDSACASA-N
MW302.38 g/mol
LogP3.35
Rot. Bonds5

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

N-methyl-N-[4-[[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetamide (PubChem CID 95236398) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-methyl-N-[4-[[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[4-[[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetamide
PubChem CID95236398
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-methyl-N-[4-[[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetamide
SMILESCC(=O)N(C)c1ccc(N[C@@H](C)c2nc(C(C)C)no2)cc1
InChIInChI=1S/C16H22N4O2/c1-10(2)15-18-16(22-19-15)11(3)17-13-6-8-14(9-7-13)20(5)12(4)21/h6-11,17H,1-5H3/t11-/m0/s1
InChIKeyZEEXQBMCEQDFIE-NSHDSACASA-N
XLogP3.35
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetamide?
The IUPAC name of N-methyl-N-[4-[[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetamide (CID 95236398) is N-methyl-N-[4-[[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetamide.
What is the SMILES notation for N-methyl-N-[4-[[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetamide?
The canonical SMILES for N-methyl-N-[4-[[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetamide is CC(=O)N(C)c1ccc(N[C@@H](C)c2nc(C(C)C)no2)cc1.
What is the InChIKey of N-methyl-N-[4-[[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetamide?
The InChIKey is ZEEXQBMCEQDFIE-NSHDSACASA-N. The full InChI is InChI=1S/C16H22N4O2/c1-10(2)15-18-16(22-19-15)11(3)17-13-6-8-14(9-7-13)20(5)12(4)21/h6-11,17H,1-5H3/t11-/m0/s1.
What are the key properties of N-methyl-N-[4-[[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetamide?
N-methyl-N-[4-[[(1S)-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 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetamide is sourced from PubChem (CID 95236398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).