N-[4-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2-methylphenyl]acetamide

C17H24N4O2 — CID 34284484

IUPACN-[4-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(N[C@@H](C)c2nc(C(C)(C)C)no2)cc1C
InChIInChI=1S/C17H24N4O2/c1-10-9-13(7-8-14(10)19-12(3)22)18-11(2)15-20-16(21-23-15)17(4,5)6/h7-9,11,18H,1-6H3,(H,19,22)/t11-/m0/s1
InChIKeyOBHDHFXGPFLAQJ-NSHDSACASA-N
MW316.41 g/mol
LogP3.81
Rot. Bonds4

About N-[4-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2-methylphenyl]acetamide

N-[4-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2-methylphenyl]acetamide (PubChem CID 34284484) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-[4-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2-methylphenyl]acetamide
PubChem CID34284484
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC NameN-[4-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(N[C@@H](C)c2nc(C(C)(C)C)no2)cc1C
InChIInChI=1S/C17H24N4O2/c1-10-9-13(7-8-14(10)19-12(3)22)18-11(2)15-20-16(21-23-15)17(4,5)6/h7-9,11,18H,1-6H3,(H,19,22)/t11-/m0/s1
InChIKeyOBHDHFXGPFLAQJ-NSHDSACASA-N
XLogP3.81
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2-methylphenyl]acetamide with MolForge

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Related Compounds

N-[4-[[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2-methylphenyl]acetamide
CID 34284478
N-[2-methyl-4-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetamide
CID 34284461
N-[2-methyl-4-[[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetamide
CID 34284466
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-[4-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methylphenyl]acetamide
CID 103935529
6-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one
CID 34308913
N-[4-(butan-2-ylamino)-2-methylphenyl]acetamide
CID 43672867
5-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylbenzamide;hydrochloride
CID 120638330
N-[2-methyl-4-(pentan-3-ylamino)phenyl]acetamide
CID 43672883
N-[4-[1-(2-chlorophenyl)ethylamino]-2-methylphenyl]acetamide
CID 43672852
N-[4-[1-(5-ethylthiophen-2-yl)ethylamino]-2-methylphenyl]acetamide
CID 61334340

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2-methylphenyl]acetamide?
The IUPAC name of N-[4-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2-methylphenyl]acetamide (CID 34284484) is N-[4-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2-methylphenyl]acetamide.
What is the SMILES notation for N-[4-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2-methylphenyl]acetamide?
The canonical SMILES for N-[4-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2-methylphenyl]acetamide is CC(=O)Nc1ccc(N[C@@H](C)c2nc(C(C)(C)C)no2)cc1C.
What is the InChIKey of N-[4-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2-methylphenyl]acetamide?
The InChIKey is OBHDHFXGPFLAQJ-NSHDSACASA-N. The full InChI is InChI=1S/C17H24N4O2/c1-10-9-13(7-8-14(10)19-12(3)22)18-11(2)15-20-16(21-23-15)17(4,5)6/h7-9,11,18H,1-6H3,(H,19,22)/t11-/m0/s1.
What are the key properties of N-[4-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2-methylphenyl]acetamide?
N-[4-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2-methylphenyl]acetamide has a molecular weight of 316.41 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2-methylphenyl]acetamide is sourced from PubChem (CID 34284484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).