N-(1,3-benzoxazol-2-ylmethyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine

C18H18N4O3 — CID 18088460

IUPACN-(1,3-benzoxazol-2-ylmethyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
SMILESCCCN(Cc1nnc(-c2ccco2)o1)Cc1nc2ccccc2o1
InChIInChI=1S/C18H18N4O3/c1-2-9-22(11-16-19-13-6-3-4-7-14(13)24-16)12-17-20-21-18(25-17)15-8-5-10-23-15/h3-8,10H,2,9,11-12H2,1H3
InChIKeyISLDFVOXIOZWHL-UHFFFAOYSA-N
MW338.37 g/mol
LogP3.88
Rot. Bonds7

About N-(1,3-benzoxazol-2-ylmethyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine

N-(1,3-benzoxazol-2-ylmethyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine (PubChem CID 18088460) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-(1,3-benzoxazol-2-ylmethyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-(1,3-benzoxazol-2-ylmethyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
PubChem CID18088460
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN-(1,3-benzoxazol-2-ylmethyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
SMILESCCCN(Cc1nnc(-c2ccco2)o1)Cc1nc2ccccc2o1
InChIInChI=1S/C18H18N4O3/c1-2-9-22(11-16-19-13-6-3-4-7-14(13)24-16)12-17-20-21-18(25-17)15-8-5-10-23-15/h3-8,10H,2,9,11-12H2,1H3
InChIKeyISLDFVOXIOZWHL-UHFFFAOYSA-N
XLogP3.88
TPSA81.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]methyl]benzonitrile
CID 8689347
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(propylcarbamoyl)acetamide
CID 9370842
2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetyl]amino]-N-propylacetamide
CID 8689520
N-(3,5-dimethylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
CID 9371354
N-(4-cyanophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
CID 9371601
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(2-nitrophenyl)acetamide
CID 9371658
N-(4-ethoxyphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
CID 9371596
N-[1-(2-bromophenyl)ethyl]-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 60505670
N-(2,5-difluorophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
CID 9371766
ethyl 4-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetyl]amino]benzoate
CID 9371489
3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51110436
N-(cyclopentylcarbamoyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
CID 9370702

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-2-ylmethyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine?
The IUPAC name of N-(1,3-benzoxazol-2-ylmethyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine (CID 18088460) is N-(1,3-benzoxazol-2-ylmethyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-(1,3-benzoxazol-2-ylmethyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-(1,3-benzoxazol-2-ylmethyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine is CCCN(Cc1nnc(-c2ccco2)o1)Cc1nc2ccccc2o1.
What is the InChIKey of N-(1,3-benzoxazol-2-ylmethyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine?
The InChIKey is ISLDFVOXIOZWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-2-9-22(11-16-19-13-6-3-4-7-14(13)24-16)12-17-20-21-18(25-17)15-8-5-10-23-15/h3-8,10H,2,9,11-12H2,1H3.
What are the key properties of N-(1,3-benzoxazol-2-ylmethyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine?
N-(1,3-benzoxazol-2-ylmethyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine has a molecular weight of 338.37 g/mol, XLogP of 3.88, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-2-ylmethyl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 18088460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).