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

C15H27N3O — CID 79238563

IUPAC4-[(3,3-diethyl-1,4-diazepan-1-yl)methyl]-3,5-dimethyl-1,2-oxazole
SMILESCCC1(CC)CN(Cc2c(C)noc2C)CCCN1
InChIInChI=1S/C15H27N3O/c1-5-15(6-2)11-18(9-7-8-16-15)10-14-12(3)17-19-13(14)4/h16H,5-11H2,1-4H3
InChIKeyNQTYNFZPJYYCNM-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.65
Rot. Bonds4

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

4-[(3,3-diethyl-1,4-diazepan-1-yl)methyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 79238563) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-[(3,3-diethyl-1,4-diazepan-1-yl)methyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[(3,3-diethyl-1,4-diazepan-1-yl)methyl]-3,5-dimethyl-1,2-oxazole
PubChem CID79238563
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name4-[(3,3-diethyl-1,4-diazepan-1-yl)methyl]-3,5-dimethyl-1,2-oxazole
SMILESCCC1(CC)CN(Cc2c(C)noc2C)CCCN1
InChIInChI=1S/C15H27N3O/c1-5-15(6-2)11-18(9-7-8-16-15)10-14-12(3)17-19-13(14)4/h16H,5-11H2,1-4H3
InChIKeyNQTYNFZPJYYCNM-UHFFFAOYSA-N
XLogP2.65
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(3,3-diethyl-1,4-diazepan-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole
CID 79237989
3,3-diethyl-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane
CID 64870349
4-[(3,3-diethyl-1,4-diazepan-1-yl)methyl]-2-methyl-1,3-thiazole
CID 64944057
3,3-diethyl-1-[(3-methyl-4-pyridinyl)methyl]-1,4-diazepane
CID 114702003
3,3-diethyl-1-[(1-methylpyrazol-3-yl)methyl]-1,4-diazepane
CID 82870894
3,5-dimethyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,2-oxazole
CID 157019503
4-[[(5R)-2-benzyl-2,9-diazaspiro[4.5]decan-9-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 97483058
4-[(4-cyclopropylidenepiperidin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole;hydrochloride
CID 121184211
5-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 94207638
4-[(5-ethyl-2,5-dimethylpiperazin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole
CID 79238559
4-[(2-cyclopropylsulfonyl-2,9-diazaspiro[4.5]decan-9-yl)methyl]-3,5-dimethyl-1,2-oxazole
CID 131640043
3,5-dimethyl-4-[[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-9-yl]methyl]-1,2-oxazole
CID 134074834

Frequently Asked Questions

What is the IUPAC name of 4-[(3,3-diethyl-1,4-diazepan-1-yl)methyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[(3,3-diethyl-1,4-diazepan-1-yl)methyl]-3,5-dimethyl-1,2-oxazole (CID 79238563) is 4-[(3,3-diethyl-1,4-diazepan-1-yl)methyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[(3,3-diethyl-1,4-diazepan-1-yl)methyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[(3,3-diethyl-1,4-diazepan-1-yl)methyl]-3,5-dimethyl-1,2-oxazole is CCC1(CC)CN(Cc2c(C)noc2C)CCCN1.
What is the InChIKey of 4-[(3,3-diethyl-1,4-diazepan-1-yl)methyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is NQTYNFZPJYYCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-15(6-2)11-18(9-7-8-16-15)10-14-12(3)17-19-13(14)4/h16H,5-11H2,1-4H3.
What are the key properties of 4-[(3,3-diethyl-1,4-diazepan-1-yl)methyl]-3,5-dimethyl-1,2-oxazole?
4-[(3,3-diethyl-1,4-diazepan-1-yl)methyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 265.40 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,3-diethyl-1,4-diazepan-1-yl)methyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 79238563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).