2-methyl-2-[methyl(oxan-4-yl)amino]-N-[3-[1-(oxan-2-yloxymethyl)cyclopentyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide

C24H41N3O5 — CID 88998631

IUPAC2-methyl-2-[methyl(oxan-4-yl)amino]-N-[3-[1-(oxan-2-yloxymethyl)cyclopentyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide
SMILESCN(C1CCOCC1)C(C)(C)C(=O)NC1CC(C2(COC3CCCCO3)CCCC2)=NO1
InChIInChI=1S/C24H41N3O5/c1-23(2,27(3)18-9-14-29-15-10-18)22(28)25-20-16-19(26-32-20)24(11-5-6-12-24)17-31-21-8-4-7-13-30-21/h18,20-21H,4-17H2,1-3H3,(H,25,28)
InChIKeyDAVYAWVXIYFXQV-UHFFFAOYSA-N
MW451.61 g/mol
LogP3.20
Rot. Bonds8

About 2-methyl-2-[methyl(oxan-4-yl)amino]-N-[3-[1-(oxan-2-yloxymethyl)cyclopentyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide

2-methyl-2-[methyl(oxan-4-yl)amino]-N-[3-[1-(oxan-2-yloxymethyl)cyclopentyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide (PubChem CID 88998631) has the molecular formula C24H41N3O5 and a molecular weight of 451.61 g/mol. Its IUPAC name is 2-methyl-2-[methyl(oxan-4-yl)amino]-N-[3-[1-(oxan-2-yloxymethyl)cyclopentyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide.

Molecular Properties

Compound Name2-methyl-2-[methyl(oxan-4-yl)amino]-N-[3-[1-(oxan-2-yloxymethyl)cyclopentyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide
PubChem CID88998631
Molecular FormulaC24H41N3O5
Molecular Weight451.61 g/mol
Exact Mass451.30
IUPAC Name2-methyl-2-[methyl(oxan-4-yl)amino]-N-[3-[1-(oxan-2-yloxymethyl)cyclopentyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide
SMILESCN(C1CCOCC1)C(C)(C)C(=O)NC1CC(C2(COC3CCCCO3)CCCC2)=NO1
InChIInChI=1S/C24H41N3O5/c1-23(2,27(3)18-9-14-29-15-10-18)22(28)25-20-16-19(26-32-20)24(11-5-6-12-24)17-31-21-8-4-7-13-30-21/h18,20-21H,4-17H2,1-3H3,(H,25,28)
InChIKeyDAVYAWVXIYFXQV-UHFFFAOYSA-N
XLogP3.20
TPSA81.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.61
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methyl-2-[methyl(oxan-4-yl)amino]-N-[3-[1-(oxan-2-yloxymethyl)cyclopentyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide with MolForge

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Related Compounds

2-methyl-2-[methyl(oxan-4-ylmethyl)amino]-N-[3-[1-(oxan-2-yloxymethyl)cyclopentyl]-1,2-oxazol-5-yl]propanamide
CID 58297315
2-bromo-2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide
CID 88998630
2-methyl-N-[3-[1-(oxan-2-yloxymethyl)cyclohexyl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide
CID 45110255
tert-butyl 1-(oxan-2-yloxymethyl)cyclopropane-1-carboxylate
CID 143065428
3-[cyclopentyl(methyl)amino]-3-methyl-1-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]butan-2-one
CID 58297266
2-methyl-N-[3-[1-(oxan-2-yloxymethyl)cyclopentyl]-1,2-oxazol-5-yl]-2-(4,4,4-trifluorobutylsulfanyl)propanamide
CID 91453324
N-[1-hydroxy-4-[1-(oxan-2-yloxymethyl)cyclohexyl]azet-2-ylidene]acetamide
CID 163816079
1-(oxan-2-yloxymethyl)cyclobutan-1-ol
CID 175776398
3-(cyclobutylmethylsulfonyl)-3-methyl-1-[3-[1-(oxan-2-yloxymethyl)cyclopentyl]-1,2-oxazol-5-yl]butan-2-one
CID 58042581
2-[(2,2-dibromo-1-methylcyclopropyl)methoxy]oxane
CID 14172524
methyl 1-(oxan-2-yloxy)cyclobutane-1-carboxylate
CID 169100738
2-[(2-methyloxiran-2-yl)methoxy]oxane
CID 71425923

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl(oxan-4-yl)amino]-N-[3-[1-(oxan-2-yloxymethyl)cyclopentyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide?
The IUPAC name of 2-methyl-2-[methyl(oxan-4-yl)amino]-N-[3-[1-(oxan-2-yloxymethyl)cyclopentyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide (CID 88998631) is 2-methyl-2-[methyl(oxan-4-yl)amino]-N-[3-[1-(oxan-2-yloxymethyl)cyclopentyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide.
What is the SMILES notation for 2-methyl-2-[methyl(oxan-4-yl)amino]-N-[3-[1-(oxan-2-yloxymethyl)cyclopentyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide?
The canonical SMILES for 2-methyl-2-[methyl(oxan-4-yl)amino]-N-[3-[1-(oxan-2-yloxymethyl)cyclopentyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide is CN(C1CCOCC1)C(C)(C)C(=O)NC1CC(C2(COC3CCCCO3)CCCC2)=NO1.
What is the InChIKey of 2-methyl-2-[methyl(oxan-4-yl)amino]-N-[3-[1-(oxan-2-yloxymethyl)cyclopentyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide?
The InChIKey is DAVYAWVXIYFXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N3O5/c1-23(2,27(3)18-9-14-29-15-10-18)22(28)25-20-16-19(26-32-20)24(11-5-6-12-24)17-31-21-8-4-7-13-30-21/h18,20-21H,4-17H2,1-3H3,(H,25,28).
What are the key properties of 2-methyl-2-[methyl(oxan-4-yl)amino]-N-[3-[1-(oxan-2-yloxymethyl)cyclopentyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide?
2-methyl-2-[methyl(oxan-4-yl)amino]-N-[3-[1-(oxan-2-yloxymethyl)cyclopentyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide has a molecular weight of 451.61 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl(oxan-4-yl)amino]-N-[3-[1-(oxan-2-yloxymethyl)cyclopentyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide is sourced from PubChem (CID 88998631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).