3-methyl-5-[[(3R)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-benzoxazol-2-one

C19H19N3O3 — CID 96568016

IUPAC3-methyl-5-[[(3R)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-benzoxazol-2-one
SMILESCc1ccc(N2CC[C@@H](Nc3ccc4oc(=O)n(C)c4c3)C2=O)cc1
InChIInChI=1S/C19H19N3O3/c1-12-3-6-14(7-4-12)22-10-9-15(18(22)23)20-13-5-8-17-16(11-13)21(2)19(24)25-17/h3-8,11,15,20H,9-10H2,1-2H3/t15-/m1/s1
InChIKeyXAAOOQDHVOSPCR-OAHLLOKOSA-N
MW337.38 g/mol
LogP2.66
Rot. Bonds3

About 3-methyl-5-[[(3R)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-benzoxazol-2-one

3-methyl-5-[[(3R)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-benzoxazol-2-one (PubChem CID 96568016) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-methyl-5-[[(3R)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-methyl-5-[[(3R)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-benzoxazol-2-one
PubChem CID96568016
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name3-methyl-5-[[(3R)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-benzoxazol-2-one
SMILESCc1ccc(N2CC[C@@H](Nc3ccc4oc(=O)n(C)c4c3)C2=O)cc1
InChIInChI=1S/C19H19N3O3/c1-12-3-6-14(7-4-12)22-10-9-15(18(22)23)20-13-5-8-17-16(11-13)21(2)19(24)25-17/h3-8,11,15,20H,9-10H2,1-2H3/t15-/m1/s1
InChIKeyXAAOOQDHVOSPCR-OAHLLOKOSA-N
XLogP2.66
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-5-[[(3R)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-benzoxazol-2-one with MolForge

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Related Compounds

5-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-3-methyl-1,3-benzoxazol-2-one
CID 75377357
5-[[(3R)-1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-3H-1,3-benzoxazol-2-one
CID 95774430
3-methyl-5-(4-methylphenyl)-1,3-benzoxazol-2-one
CID 134527822
3,5-dimethyl-1,3-benzoxazol-2-one;methane
CID 160664134
3-[(6-ethoxypyrimidin-4-yl)amino]-1-(4-methylphenyl)pyrrolidin-2-one
CID 133484160
5-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]carbamoyl]furan-3-carboxylic acid
CID 126786075
3-[(6-fluoro-2-pyridinyl)amino]-1-(4-methylphenyl)pyrrolidin-2-one
CID 133353967
3-(4-fluoro-2-nitroanilino)-1-(4-methylphenyl)pyrrolidin-2-one
CID 133353914
1-(4-bromophenyl)-3-(3-methoxyanilino)pyrrolidin-2-one
CID 122515859
1-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-[(1R)-1-(4-methylphenyl)ethyl]urea
CID 95597501
3-(3-methylbutylamino)-1-(4-methylphenyl)pyrrolidin-2-one
CID 119139001
1-(4-methylphenyl)-3-[(5-methylthiophen-2-yl)methylamino]pyrrolidin-2-one
CID 146125935

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[(3R)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-benzoxazol-2-one?
The IUPAC name of 3-methyl-5-[[(3R)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-benzoxazol-2-one (CID 96568016) is 3-methyl-5-[[(3R)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-methyl-5-[[(3R)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-methyl-5-[[(3R)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-benzoxazol-2-one is Cc1ccc(N2CC[C@@H](Nc3ccc4oc(=O)n(C)c4c3)C2=O)cc1.
What is the InChIKey of 3-methyl-5-[[(3R)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-benzoxazol-2-one?
The InChIKey is XAAOOQDHVOSPCR-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-12-3-6-14(7-4-12)22-10-9-15(18(22)23)20-13-5-8-17-16(11-13)21(2)19(24)25-17/h3-8,11,15,20H,9-10H2,1-2H3/t15-/m1/s1.
What are the key properties of 3-methyl-5-[[(3R)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-benzoxazol-2-one?
3-methyl-5-[[(3R)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-benzoxazol-2-one has a molecular weight of 337.38 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[(3R)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-benzoxazol-2-one is sourced from PubChem (CID 96568016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).