1-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-[3-(1,3-oxazol-5-yl)phenyl]urea

C20H26N4O3 — CID 97272837

IUPAC1-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-[3-(1,3-oxazol-5-yl)phenyl]urea
SMILESCN(C[C@H]1CC(=O)N(C(C)(C)C)C1)C(=O)Nc1cccc(-c2cnco2)c1
InChIInChI=1S/C20H26N4O3/c1-20(2,3)24-12-14(8-18(24)25)11-23(4)19(26)22-16-7-5-6-15(9-16)17-10-21-13-27-17/h5-7,9-10,13-14H,8,11-12H2,1-4H3,(H,22,26)/t14-/m1/s1
InChIKeyZWLKSYTXJRRCCT-CQSZACIVSA-N
MW370.45 g/mol
LogP3.45
Rot. Bonds4

About 1-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-[3-(1,3-oxazol-5-yl)phenyl]urea

1-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-[3-(1,3-oxazol-5-yl)phenyl]urea (PubChem CID 97272837) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-[3-(1,3-oxazol-5-yl)phenyl]urea.

Molecular Properties

Compound Name1-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-[3-(1,3-oxazol-5-yl)phenyl]urea
PubChem CID97272837
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name1-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-[3-(1,3-oxazol-5-yl)phenyl]urea
SMILESCN(C[C@H]1CC(=O)N(C(C)(C)C)C1)C(=O)Nc1cccc(-c2cnco2)c1
InChIInChI=1S/C20H26N4O3/c1-20(2,3)24-12-14(8-18(24)25)11-23(4)19(26)22-16-7-5-6-15(9-16)17-10-21-13-27-17/h5-7,9-10,13-14H,8,11-12H2,1-4H3,(H,22,26)/t14-/m1/s1
InChIKeyZWLKSYTXJRRCCT-CQSZACIVSA-N
XLogP3.45
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-[3-(1,3-oxazol-5-yl)phenyl]urea 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 1-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-[3-(1,3-oxazol-5-yl)phenyl]urea?
The IUPAC name of 1-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-[3-(1,3-oxazol-5-yl)phenyl]urea (CID 97272837) is 1-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-[3-(1,3-oxazol-5-yl)phenyl]urea.
What is the SMILES notation for 1-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-[3-(1,3-oxazol-5-yl)phenyl]urea?
The canonical SMILES for 1-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-[3-(1,3-oxazol-5-yl)phenyl]urea is CN(C[C@H]1CC(=O)N(C(C)(C)C)C1)C(=O)Nc1cccc(-c2cnco2)c1.
What is the InChIKey of 1-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-[3-(1,3-oxazol-5-yl)phenyl]urea?
The InChIKey is ZWLKSYTXJRRCCT-CQSZACIVSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-20(2,3)24-12-14(8-18(24)25)11-23(4)19(26)22-16-7-5-6-15(9-16)17-10-21-13-27-17/h5-7,9-10,13-14H,8,11-12H2,1-4H3,(H,22,26)/t14-/m1/s1.
What are the key properties of 1-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-[3-(1,3-oxazol-5-yl)phenyl]urea?
1-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-[3-(1,3-oxazol-5-yl)phenyl]urea has a molecular weight of 370.45 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-[3-(1,3-oxazol-5-yl)phenyl]urea is sourced from PubChem (CID 97272837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).