4-[1-(3,3-diethyl-1,4-diazepan-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole

C16H29N3O — CID 79237989

IUPAC4-[1-(3,3-diethyl-1,4-diazepan-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole
SMILESCCC1(CC)CN(C(C)c2c(C)noc2C)CCCN1
InChIInChI=1S/C16H29N3O/c1-6-16(7-2)11-19(10-8-9-17-16)13(4)15-12(3)18-20-14(15)5/h13,17H,6-11H2,1-5H3
InChIKeyYTRWQERKAADLEM-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.21
Rot. Bonds4

About 4-[1-(3,3-diethyl-1,4-diazepan-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole

4-[1-(3,3-diethyl-1,4-diazepan-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 79237989) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 4-[1-(3,3-diethyl-1,4-diazepan-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[1-(3,3-diethyl-1,4-diazepan-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole
PubChem CID79237989
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name4-[1-(3,3-diethyl-1,4-diazepan-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole
SMILESCCC1(CC)CN(C(C)c2c(C)noc2C)CCCN1
InChIInChI=1S/C16H29N3O/c1-6-16(7-2)11-19(10-8-9-17-16)13(4)15-12(3)18-20-14(15)5/h13,17H,6-11H2,1-5H3
InChIKeyYTRWQERKAADLEM-UHFFFAOYSA-N
XLogP3.21
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S,4S)-1-[(dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methanamine
CID 119030852
alpha,3,5-Trimethyl-4-isoxazolemethanamine
CID 23006348
N,3,5-Trimethyl-4-isoxazolemethanamine
CID 23006353
1-((Dimethyl-1,2-oxazol-4-yl)methyl)piperazine dihydrochloride
CID 42933684
3-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 39513620
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-propylpiperazine-1-carboxamide
CID 47278907
N-[2-(dimethylamino)propyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 53518714
Methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-methylpentanoate
CID 71855505
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylazepane-1-carboxamide
CID 71935964
N'-{(3S*,4R*)-1-[(3,5-dimethylisoxazol-4-yl)methyl]-4-isopropylpyrrolidin-3-yl}-N,N-dimethylsulfamide
CID 72936150
(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 93260440
4-(((3AR,6aS)-hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)methyl)-3,5-dimethylisoxazole
CID 97053909

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,3-diethyl-1,4-diazepan-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[1-(3,3-diethyl-1,4-diazepan-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole (CID 79237989) is 4-[1-(3,3-diethyl-1,4-diazepan-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[1-(3,3-diethyl-1,4-diazepan-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[1-(3,3-diethyl-1,4-diazepan-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole is CCC1(CC)CN(C(C)c2c(C)noc2C)CCCN1.
What is the InChIKey of 4-[1-(3,3-diethyl-1,4-diazepan-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is YTRWQERKAADLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-6-16(7-2)11-19(10-8-9-17-16)13(4)15-12(3)18-20-14(15)5/h13,17H,6-11H2,1-5H3.
What are the key properties of 4-[1-(3,3-diethyl-1,4-diazepan-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole?
4-[1-(3,3-diethyl-1,4-diazepan-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 279.43 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,3-diethyl-1,4-diazepan-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 79237989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).