N-[3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-oxo-1H-isoindol-4-yl]phenyl]acetamide

C22H21N3O3 — CID 134809395

IUPACN-[3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-oxo-1H-isoindol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cc(-c3c(C)noc3C)cc3c2C(=O)N(C)C3)c1
InChIInChI=1S/C22H21N3O3/c1-12-20(13(2)28-24-12)16-8-17-11-25(4)22(27)21(17)19(10-16)15-6-5-7-18(9-15)23-14(3)26/h5-10H,11H2,1-4H3,(H,23,26)
InChIKeySCMVYKVAJXXRNC-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.17
Rot. Bonds3

About N-[3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-oxo-1H-isoindol-4-yl]phenyl]acetamide

N-[3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-oxo-1H-isoindol-4-yl]phenyl]acetamide (PubChem CID 134809395) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-oxo-1H-isoindol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-oxo-1H-isoindol-4-yl]phenyl]acetamide
PubChem CID134809395
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-[3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-oxo-1H-isoindol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cc(-c3c(C)noc3C)cc3c2C(=O)N(C)C3)c1
InChIInChI=1S/C22H21N3O3/c1-12-20(13(2)28-24-12)16-8-17-11-25(4)22(27)21(17)19(10-16)15-6-5-7-18(9-15)23-14(3)26/h5-10H,11H2,1-4H3,(H,23,26)
InChIKeySCMVYKVAJXXRNC-UHFFFAOYSA-N
XLogP4.17
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-oxo-1H-isoindol-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-oxo-1H-isoindol-4-yl]phenyl]acetamide (CID 134809395) is N-[3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-oxo-1H-isoindol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-oxo-1H-isoindol-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-oxo-1H-isoindol-4-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2cc(-c3c(C)noc3C)cc3c2C(=O)N(C)C3)c1.
What is the InChIKey of N-[3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-oxo-1H-isoindol-4-yl]phenyl]acetamide?
The InChIKey is SCMVYKVAJXXRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-12-20(13(2)28-24-12)16-8-17-11-25(4)22(27)21(17)19(10-16)15-6-5-7-18(9-15)23-14(3)26/h5-10H,11H2,1-4H3,(H,23,26).
What are the key properties of N-[3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-oxo-1H-isoindol-4-yl]phenyl]acetamide?
N-[3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-oxo-1H-isoindol-4-yl]phenyl]acetamide has a molecular weight of 375.43 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-oxo-1H-isoindol-4-yl]phenyl]acetamide is sourced from PubChem (CID 134809395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).