(5S)-5-[[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl-propan-2-ylamino]methyl]pyrrolidin-2-one

C20H27N3O2 — CID 42195697

IUPAC(5S)-5-[[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl-propan-2-ylamino]methyl]pyrrolidin-2-one
SMILESCc1ccccc1-c1nc(CN(C[C@@H]2CCC(=O)N2)C(C)C)c(C)o1
InChIInChI=1S/C20H27N3O2/c1-13(2)23(11-16-9-10-19(24)21-16)12-18-15(4)25-20(22-18)17-8-6-5-7-14(17)3/h5-8,13,16H,9-12H2,1-4H3,(H,21,24)/t16-/m0/s1
InChIKeyQIVSSLREARTGIA-INIZCTEOSA-N
MW341.46 g/mol
LogP3.45
Rot. Bonds6

About (5S)-5-[[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl-propan-2-ylamino]methyl]pyrrolidin-2-one

(5S)-5-[[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl-propan-2-ylamino]methyl]pyrrolidin-2-one (PubChem CID 42195697) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is (5S)-5-[[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl-propan-2-ylamino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl-propan-2-ylamino]methyl]pyrrolidin-2-one
PubChem CID42195697
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name(5S)-5-[[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl-propan-2-ylamino]methyl]pyrrolidin-2-one
SMILESCc1ccccc1-c1nc(CN(C[C@@H]2CCC(=O)N2)C(C)C)c(C)o1
InChIInChI=1S/C20H27N3O2/c1-13(2)23(11-16-9-10-19(24)21-16)12-18-15(4)25-20(22-18)17-8-6-5-7-14(17)3/h5-8,13,16H,9-12H2,1-4H3,(H,21,24)/t16-/m0/s1
InChIKeyQIVSSLREARTGIA-INIZCTEOSA-N
XLogP3.45
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5S)-5-[[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl-propan-2-ylamino]methyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl-propan-2-ylamino]methyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl-propan-2-ylamino]methyl]pyrrolidin-2-one (CID 42195697) is (5S)-5-[[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl-propan-2-ylamino]methyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl-propan-2-ylamino]methyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl-propan-2-ylamino]methyl]pyrrolidin-2-one is Cc1ccccc1-c1nc(CN(C[C@@H]2CCC(=O)N2)C(C)C)c(C)o1.
What is the InChIKey of (5S)-5-[[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl-propan-2-ylamino]methyl]pyrrolidin-2-one?
The InChIKey is QIVSSLREARTGIA-INIZCTEOSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-13(2)23(11-16-9-10-19(24)21-16)12-18-15(4)25-20(22-18)17-8-6-5-7-14(17)3/h5-8,13,16H,9-12H2,1-4H3,(H,21,24)/t16-/m0/s1.
What are the key properties of (5S)-5-[[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl-propan-2-ylamino]methyl]pyrrolidin-2-one?
(5S)-5-[[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl-propan-2-ylamino]methyl]pyrrolidin-2-one has a molecular weight of 341.46 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl-propan-2-ylamino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 42195697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).