2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide

C20H15N3O4 — CID 30823773

IUPAC2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCc1nc(-c2ccc(NC(=O)c3ccc4c(c3)C(=O)N(C)C4=O)cc2)co1
InChIInChI=1S/C20H15N3O4/c1-11-21-17(10-27-11)12-3-6-14(7-4-12)22-18(24)13-5-8-15-16(9-13)20(26)23(2)19(15)25/h3-10H,1-2H3,(H,22,24)
InChIKeyULZFAEPQCSLJHT-UHFFFAOYSA-N
MW361.36 g/mol
LogP3.13
Rot. Bonds3

About 2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide

2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 30823773) has the molecular formula C20H15N3O4 and a molecular weight of 361.36 g/mol. Its IUPAC name is 2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide
PubChem CID30823773
Molecular FormulaC20H15N3O4
Molecular Weight361.36 g/mol
Exact Mass361.11
IUPAC Name2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCc1nc(-c2ccc(NC(=O)c3ccc4c(c3)C(=O)N(C)C4=O)cc2)co1
InChIInChI=1S/C20H15N3O4/c1-11-21-17(10-27-11)12-3-6-14(7-4-12)22-18(24)13-5-8-15-16(9-13)20(26)23(2)19(15)25/h3-10H,1-2H3,(H,22,24)
InChIKeyULZFAEPQCSLJHT-UHFFFAOYSA-N
XLogP3.13
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(4-anilinophenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 46554436
3,4-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
CID 5303031
2-methyl-1,3-dioxo-N-(4-piperidin-1-ylphenyl)isoindole-5-carboxamide
CID 26289690
2-methyl-1,3-dioxo-N-pyridin-3-ylisoindole-5-carboxamide
CID 973223
4-methyl-N-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenyl]benzamide
CID 153454442
N-(4-butylphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 26268853
1-tert-butyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-1,2,4-triazole-3-carboxamide
CID 126816541
N-(2,4-dimethylphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 26915292
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 17499132
N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 55782313
N,2-bis(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1079613
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 4071661

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide (CID 30823773) is 2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide is Cc1nc(-c2ccc(NC(=O)c3ccc4c(c3)C(=O)N(C)C4=O)cc2)co1.
What is the InChIKey of 2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is ULZFAEPQCSLJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O4/c1-11-21-17(10-27-11)12-3-6-14(7-4-12)22-18(24)13-5-8-15-16(9-13)20(26)23(2)19(15)25/h3-10H,1-2H3,(H,22,24).
What are the key properties of 2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide?
2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 361.36 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 30823773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).