3-methyl-3-[methyl(oxan-4-ylmethyl)amino]-1-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]butan-2-one

C22H33N3O4 — CID 58297175

IUPAC3-methyl-3-[methyl(oxan-4-ylmethyl)amino]-1-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]butan-2-one
SMILESCc1ncc(C(C)(C)c2cc(CC(=O)C(C)(C)N(C)CC3CCOCC3)on2)o1
InChIInChI=1S/C22H33N3O4/c1-15-23-13-20(28-15)21(2,3)18-11-17(29-24-18)12-19(26)22(4,5)25(6)14-16-7-9-27-10-8-16/h11,13,16H,7-10,12,14H2,1-6H3
InChIKeyUUSWEXKGONXVKV-UHFFFAOYSA-N
MW403.52 g/mol
LogP3.55
Rot. Bonds8

About 3-methyl-3-[methyl(oxan-4-ylmethyl)amino]-1-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]butan-2-one

3-methyl-3-[methyl(oxan-4-ylmethyl)amino]-1-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]butan-2-one (PubChem CID 58297175) has the molecular formula C22H33N3O4 and a molecular weight of 403.52 g/mol. Its IUPAC name is 3-methyl-3-[methyl(oxan-4-ylmethyl)amino]-1-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]butan-2-one.

Molecular Properties

Compound Name3-methyl-3-[methyl(oxan-4-ylmethyl)amino]-1-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]butan-2-one
PubChem CID58297175
Molecular FormulaC22H33N3O4
Molecular Weight403.52 g/mol
Exact Mass403.25
IUPAC Name3-methyl-3-[methyl(oxan-4-ylmethyl)amino]-1-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]butan-2-one
SMILESCc1ncc(C(C)(C)c2cc(CC(=O)C(C)(C)N(C)CC3CCOCC3)on2)o1
InChIInChI=1S/C22H33N3O4/c1-15-23-13-20(28-15)21(2,3)18-11-17(29-24-18)12-19(26)22(4,5)25(6)14-16-7-9-27-10-8-16/h11,13,16H,7-10,12,14H2,1-6H3
InChIKeyUUSWEXKGONXVKV-UHFFFAOYSA-N
XLogP3.55
TPSA81.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-methyl-3-[methyl(oxan-4-ylmethyl)amino]-1-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]butan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[methyl(oxan-4-ylmethyl)amino]-1-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]butan-2-one?
The IUPAC name of 3-methyl-3-[methyl(oxan-4-ylmethyl)amino]-1-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]butan-2-one (CID 58297175) is 3-methyl-3-[methyl(oxan-4-ylmethyl)amino]-1-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]butan-2-one.
What is the SMILES notation for 3-methyl-3-[methyl(oxan-4-ylmethyl)amino]-1-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]butan-2-one?
The canonical SMILES for 3-methyl-3-[methyl(oxan-4-ylmethyl)amino]-1-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]butan-2-one is Cc1ncc(C(C)(C)c2cc(CC(=O)C(C)(C)N(C)CC3CCOCC3)on2)o1.
What is the InChIKey of 3-methyl-3-[methyl(oxan-4-ylmethyl)amino]-1-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]butan-2-one?
The InChIKey is UUSWEXKGONXVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O4/c1-15-23-13-20(28-15)21(2,3)18-11-17(29-24-18)12-19(26)22(4,5)25(6)14-16-7-9-27-10-8-16/h11,13,16H,7-10,12,14H2,1-6H3.
What are the key properties of 3-methyl-3-[methyl(oxan-4-ylmethyl)amino]-1-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]butan-2-one?
3-methyl-3-[methyl(oxan-4-ylmethyl)amino]-1-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]butan-2-one has a molecular weight of 403.52 g/mol, XLogP of 3.55, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[methyl(oxan-4-ylmethyl)amino]-1-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]butan-2-one is sourced from PubChem (CID 58297175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).