4-[[(3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)morpholin-4-yl]methyl]-N,N-dimethylaniline

C20H29N3O2 — CID 75367207

IUPAC4-[[(3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)morpholin-4-yl]methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(CN2CCOC[C@H]2c2nc(C(C)(C)C)co2)cc1
InChIInChI=1S/C20H29N3O2/c1-20(2,3)18-14-25-19(21-18)17-13-24-11-10-23(17)12-15-6-8-16(9-7-15)22(4)5/h6-9,14,17H,10-13H2,1-5H3/t17-/m0/s1
InChIKeyYFBNCAYKUNTUCR-KRWDZBQOSA-N
MW343.47 g/mol
LogP3.61
Rot. Bonds4

About 4-[[(3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)morpholin-4-yl]methyl]-N,N-dimethylaniline

4-[[(3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)morpholin-4-yl]methyl]-N,N-dimethylaniline (PubChem CID 75367207) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 4-[[(3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)morpholin-4-yl]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[(3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)morpholin-4-yl]methyl]-N,N-dimethylaniline
PubChem CID75367207
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name4-[[(3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)morpholin-4-yl]methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(CN2CCOC[C@H]2c2nc(C(C)(C)C)co2)cc1
InChIInChI=1S/C20H29N3O2/c1-20(2,3)18-14-25-19(21-18)17-13-24-11-10-23(17)12-15-6-8-16(9-7-15)22(4)5/h6-9,14,17H,10-13H2,1-5H3/t17-/m0/s1
InChIKeyYFBNCAYKUNTUCR-KRWDZBQOSA-N
XLogP3.61
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 4-[[(3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)morpholin-4-yl]methyl]-N,N-dimethylaniline 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 4-[[(3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)morpholin-4-yl]methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[[(3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)morpholin-4-yl]methyl]-N,N-dimethylaniline (CID 75367207) is 4-[[(3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)morpholin-4-yl]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[(3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)morpholin-4-yl]methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[(3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)morpholin-4-yl]methyl]-N,N-dimethylaniline is CN(C)c1ccc(CN2CCOC[C@H]2c2nc(C(C)(C)C)co2)cc1.
What is the InChIKey of 4-[[(3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)morpholin-4-yl]methyl]-N,N-dimethylaniline?
The InChIKey is YFBNCAYKUNTUCR-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-20(2,3)18-14-25-19(21-18)17-13-24-11-10-23(17)12-15-6-8-16(9-7-15)22(4)5/h6-9,14,17H,10-13H2,1-5H3/t17-/m0/s1.
What are the key properties of 4-[[(3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)morpholin-4-yl]methyl]-N,N-dimethylaniline?
4-[[(3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)morpholin-4-yl]methyl]-N,N-dimethylaniline has a molecular weight of 343.47 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-3-(4-tert-butyl-1,3-oxazol-2-yl)morpholin-4-yl]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 75367207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).