(2R)-2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)-N-[(1S)-2,2-dimethyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)propyl]-4-methylpentanamide

C24H33N3O5 — CID 67094553

IUPAC(2R)-2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)-N-[(1S)-2,2-dimethyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)propyl]-4-methylpentanamide
SMILESCC(C)CC(C(=O)N[C@H](c1noc(-c2ccccc2)n1)C(C)(C)C)C1OC(C)(C)OC1=O
InChIInChI=1S/C24H33N3O5/c1-14(2)13-16(17-22(29)31-24(6,7)30-17)20(28)25-18(23(3,4)5)19-26-21(32-27-19)15-11-9-8-10-12-15/h8-12,14,16-18H,13H2,1-7H3,(H,25,28)/t16?,17?,18-/m1/s1
InChIKeyYOLKRIOZZIPRKN-DAWZGUTISA-N
MW443.54 g/mol
LogP4.28
Rot. Bonds7

About (2R)-2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)-N-[(1S)-2,2-dimethyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)propyl]-4-methylpentanamide

(2R)-2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)-N-[(1S)-2,2-dimethyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)propyl]-4-methylpentanamide (PubChem CID 67094553) has the molecular formula C24H33N3O5 and a molecular weight of 443.54 g/mol. Its IUPAC name is (2R)-2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)-N-[(1S)-2,2-dimethyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)propyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)-N-[(1S)-2,2-dimethyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)propyl]-4-methylpentanamide
PubChem CID67094553
Molecular FormulaC24H33N3O5
Molecular Weight443.54 g/mol
Exact Mass443.24
IUPAC Name(2R)-2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)-N-[(1S)-2,2-dimethyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)propyl]-4-methylpentanamide
SMILESCC(C)CC(C(=O)N[C@H](c1noc(-c2ccccc2)n1)C(C)(C)C)C1OC(C)(C)OC1=O
InChIInChI=1S/C24H33N3O5/c1-14(2)13-16(17-22(29)31-24(6,7)30-17)20(28)25-18(23(3,4)5)19-26-21(32-27-19)15-11-9-8-10-12-15/h8-12,14,16-18H,13H2,1-7H3,(H,25,28)/t16?,17?,18-/m1/s1
InChIKeyYOLKRIOZZIPRKN-DAWZGUTISA-N
XLogP4.28
TPSA103.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.54
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R)-2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)-N-[(1S)-2,2-dimethyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)propyl]-4-methylpentanamide with MolForge

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Related Compounds

2-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide;hydrochloride
CID 119340920
3-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 119340919
(2S,3S)-N-[(1S)-2,2-dimethyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide
CID 135681453
(2R,3S)-N-[(1S)-2,2-dimethyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide
CID 10237962
(2S)-2-[[(2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-5-(3-methyl-4-phenylphenyl)pentanoyl]amino]-N-[(1S)-2-hydroxy-1-phenylethyl]-3,3-dimethylbutanamide
CID 59875762
(2S)-4-methyl-2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentanoic acid
CID 122050104
1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethanol
CID 75481811
3-amino-2-methyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide;hydrochloride
CID 120502036
(2S)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-4-methyl-N-[(2R)-1-[[(1Z)-1-(methylideneamino)buta-1,3-dienyl]amino]propan-2-yl]pentanamide
CID 143172629
4-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentan-2-ol
CID 133482561
3-[methyl-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]amino]propanoic acid
CID 122006749
2-ethyl-6-oxo-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyridine-4-carboxamide
CID 139000135

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)-N-[(1S)-2,2-dimethyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)propyl]-4-methylpentanamide?
The IUPAC name of (2R)-2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)-N-[(1S)-2,2-dimethyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)propyl]-4-methylpentanamide (CID 67094553) is (2R)-2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)-N-[(1S)-2,2-dimethyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)propyl]-4-methylpentanamide.
What is the SMILES notation for (2R)-2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)-N-[(1S)-2,2-dimethyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)propyl]-4-methylpentanamide?
The canonical SMILES for (2R)-2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)-N-[(1S)-2,2-dimethyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)propyl]-4-methylpentanamide is CC(C)CC(C(=O)N[C@H](c1noc(-c2ccccc2)n1)C(C)(C)C)C1OC(C)(C)OC1=O.
What is the InChIKey of (2R)-2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)-N-[(1S)-2,2-dimethyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)propyl]-4-methylpentanamide?
The InChIKey is YOLKRIOZZIPRKN-DAWZGUTISA-N. The full InChI is InChI=1S/C24H33N3O5/c1-14(2)13-16(17-22(29)31-24(6,7)30-17)20(28)25-18(23(3,4)5)19-26-21(32-27-19)15-11-9-8-10-12-15/h8-12,14,16-18H,13H2,1-7H3,(H,25,28)/t16?,17?,18-/m1/s1.
What are the key properties of (2R)-2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)-N-[(1S)-2,2-dimethyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)propyl]-4-methylpentanamide?
(2R)-2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)-N-[(1S)-2,2-dimethyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)propyl]-4-methylpentanamide has a molecular weight of 443.54 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)-N-[(1S)-2,2-dimethyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)propyl]-4-methylpentanamide is sourced from PubChem (CID 67094553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).