N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetamide

C19H24N4O4 — CID 72897865

IUPACN-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetamide
SMILESCC(C)Cc1noc(CN(C)C(=O)CN2C(=O)OC[C@@H]2c2ccccc2)n1
InChIInChI=1S/C19H24N4O4/c1-13(2)9-16-20-17(27-21-16)10-22(3)18(24)11-23-15(12-26-19(23)25)14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3/t15-/m1/s1
InChIKeySIVSJRZGMBNJCE-OAHLLOKOSA-N
MW372.43 g/mol
LogP2.42
Rot. Bonds7

About N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetamide

N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetamide (PubChem CID 72897865) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetamide
PubChem CID72897865
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC NameN-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetamide
SMILESCC(C)Cc1noc(CN(C)C(=O)CN2C(=O)OC[C@@H]2c2ccccc2)n1
InChIInChI=1S/C19H24N4O4/c1-13(2)9-16-20-17(27-21-16)10-22(3)18(24)11-23-15(12-26-19(23)25)14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3/t15-/m1/s1
InChIKeySIVSJRZGMBNJCE-OAHLLOKOSA-N
XLogP2.42
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetamide
CID 72860834
N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)acetamide
CID 156605717
N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-methyl-2-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)acetamide
CID 156605712
N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-methyl-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetamide
CID 72929537
3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenyl-1,3-oxazolidin-2-one
CID 156607205
2-(2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 77086666
3-(3-methylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 67991997
2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 95718517
(4R)-3-[[2-[[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]methyl]-4-phenyl-1,3-oxazolidin-2-one
CID 138601240
N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(N-methylsulfonylanilino)propanamide
CID 131898274
N,5-dimethyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazole-4-carboxamide
CID 28769271
(4S)-3-butyl-4-phenyl-1,3-oxazolidin-2-one
CID 134941159

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetamide?
The IUPAC name of N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetamide (CID 72897865) is N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetamide.
What is the SMILES notation for N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetamide?
The canonical SMILES for N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetamide is CC(C)Cc1noc(CN(C)C(=O)CN2C(=O)OC[C@@H]2c2ccccc2)n1.
What is the InChIKey of N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetamide?
The InChIKey is SIVSJRZGMBNJCE-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-13(2)9-16-20-17(27-21-16)10-22(3)18(24)11-23-15(12-26-19(23)25)14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3/t15-/m1/s1.
What are the key properties of N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetamide?
N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetamide has a molecular weight of 372.43 g/mol, XLogP of 2.42, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetamide is sourced from PubChem (CID 72897865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).