2-[4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-1,4-diazepan-1-yl]ethanol

C15H21N3O3 — CID 63310200

IUPAC2-[4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-1,4-diazepan-1-yl]ethanol
SMILESOCCN1CCCN(Cc2cc(-c3ccco3)on2)CC1
InChIInChI=1S/C15H21N3O3/c19-9-8-17-4-2-5-18(7-6-17)12-13-11-15(21-16-13)14-3-1-10-20-14/h1,3,10-11,19H,2,4-9,12H2
InChIKeyVMJOFYBLTULYRW-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.43
Rot. Bonds5

About 2-[4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-1,4-diazepan-1-yl]ethanol

2-[4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-1,4-diazepan-1-yl]ethanol (PubChem CID 63310200) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-1,4-diazepan-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-1,4-diazepan-1-yl]ethanol
PubChem CID63310200
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-[4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-1,4-diazepan-1-yl]ethanol
SMILESOCCN1CCCN(Cc2cc(-c3ccco3)on2)CC1
InChIInChI=1S/C15H21N3O3/c19-9-8-17-4-2-5-18(7-6-17)12-13-11-15(21-16-13)14-3-1-10-20-14/h1,3,10-11,19H,2,4-9,12H2
InChIKeyVMJOFYBLTULYRW-UHFFFAOYSA-N
XLogP1.43
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-1,4-diazepan-1-yl]ethanol with MolForge

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Launch Full Analysis

Related Compounds

1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-4-methylpiperidin-4-ol
CID 80703636
3-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-5-(furan-2-yl)-1,2-oxazole
CID 8617759
1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]piperidine-3-carboxylic acid
CID 43440721
[1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]piperidin-2-yl]methanol
CID 60685086
(3S)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-amine;hydrochloride
CID 119933963
5-(furan-2-yl)-3-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole
CID 39975470
[5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine
CID 7060533
1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyrrolidine-2-carboxylic acid
CID 43441750
[5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine;hydrochloride
CID 53398902
3-[[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 134033856
(3S,4S)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120953932
2-[1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyrrolidin-2-yl]acetic acid
CID 61372120

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-1,4-diazepan-1-yl]ethanol?
The IUPAC name of 2-[4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-1,4-diazepan-1-yl]ethanol (CID 63310200) is 2-[4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-1,4-diazepan-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-1,4-diazepan-1-yl]ethanol?
The canonical SMILES for 2-[4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-1,4-diazepan-1-yl]ethanol is OCCN1CCCN(Cc2cc(-c3ccco3)on2)CC1.
What is the InChIKey of 2-[4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-1,4-diazepan-1-yl]ethanol?
The InChIKey is VMJOFYBLTULYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c19-9-8-17-4-2-5-18(7-6-17)12-13-11-15(21-16-13)14-3-1-10-20-14/h1,3,10-11,19H,2,4-9,12H2.
What are the key properties of 2-[4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-1,4-diazepan-1-yl]ethanol?
2-[4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-1,4-diazepan-1-yl]ethanol has a molecular weight of 291.35 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-1,4-diazepan-1-yl]ethanol is sourced from PubChem (CID 63310200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).