1-[3-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)phenyl]imidazolidin-2-one

C20H24N4O3 — CID 170508919

IUPAC1-[3-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)phenyl]imidazolidin-2-one
SMILESCC(C)(C)c1nc2c(o1)CCN(C(=O)c1cccc(N3CCNC3=O)c1)C2
InChIInChI=1S/C20H24N4O3/c1-20(2,3)18-22-15-12-23(9-7-16(15)27-18)17(25)13-5-4-6-14(11-13)24-10-8-21-19(24)26/h4-6,11H,7-10,12H2,1-3H3,(H,21,26)
InChIKeyGXJUYWFYUMNIFH-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.70
Rot. Bonds2

About 1-[3-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)phenyl]imidazolidin-2-one

1-[3-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)phenyl]imidazolidin-2-one (PubChem CID 170508919) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-[3-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)phenyl]imidazolidin-2-one
PubChem CID170508919
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name1-[3-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)phenyl]imidazolidin-2-one
SMILESCC(C)(C)c1nc2c(o1)CCN(C(=O)c1cccc(N3CCNC3=O)c1)C2
InChIInChI=1S/C20H24N4O3/c1-20(2,3)18-22-15-12-23(9-7-16(15)27-18)17(25)13-5-4-6-14(11-13)24-10-8-21-19(24)26/h4-6,11H,7-10,12H2,1-3H3,(H,21,26)
InChIKeyGXJUYWFYUMNIFH-UHFFFAOYSA-N
XLogP2.70
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)phenyl]imidazolidin-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

Related Compounds

N-(3-Fluoro-2-methylphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-YL]piperidine-1-carboxamide
CID 71837574
2-{1-[(3-fluoro-2-methylanilino)carbonyl]-4-piperidyl}-N~4~,N~4~,5-trimethyl-1,3-oxazole-4-carboxamide
CID 71837610
4-{4-[(dimethylamino)carbonyl]-5-methyl-1,3-oxazol-2-yl}-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 53168447
4-{4-[(dimethylamino)carbonyl]-5-methyl-1,3-oxazol-2-yl}-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 53168449
4-{4-[(dimethylamino)carbonyl]-5-methyl-1,3-oxazol-2-yl}-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 53168450
1-[[1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-3-phenylurea
CID 53597518
N-(3,5-Difluorophenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-YL]piperidine-1-carboxamide
CID 71837572
N-[(3-Fluorophenyl)methyl]-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-13-oxazol-2-YL]piperidine-1-carboxamide
CID 71837575
N-(2,4-Difluorophenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-YL]piperidine-1-carboxamide
CID 71837577
N-(2-Fluorophenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-YL]piperidine-1-carboxamide
CID 71837579
N-(2,5-difluorophenyl)-4-[5-methyl-4-(1-pyrrolidinylcarbonyl)-1,3-oxazol-2-yl]tetrahydro-1(2H)-pyridinecarboxamide
CID 71837581
N-(3-Fluoro-4-methylphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-YL]piperidine-1-carboxamide
CID 71837582

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)phenyl]imidazolidin-2-one?
The IUPAC name of 1-[3-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)phenyl]imidazolidin-2-one (CID 170508919) is 1-[3-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)phenyl]imidazolidin-2-one is CC(C)(C)c1nc2c(o1)CCN(C(=O)c1cccc(N3CCNC3=O)c1)C2.
What is the InChIKey of 1-[3-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)phenyl]imidazolidin-2-one?
The InChIKey is GXJUYWFYUMNIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-20(2,3)18-22-15-12-23(9-7-16(15)27-18)17(25)13-5-4-6-14(11-13)24-10-8-21-19(24)26/h4-6,11H,7-10,12H2,1-3H3,(H,21,26).
What are the key properties of 1-[3-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)phenyl]imidazolidin-2-one?
1-[3-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)phenyl]imidazolidin-2-one has a molecular weight of 368.44 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 170508919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).