N-[[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine

C16H17N3O2 — CID 114822846

IUPACN-[[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine
SMILESCCNC(c1ccccc1)c1nnc(-c2coc(C)c2)o1
InChIInChI=1S/C16H17N3O2/c1-3-17-14(12-7-5-4-6-8-12)16-19-18-15(21-16)13-9-11(2)20-10-13/h4-10,14,17H,3H2,1-2H3
InChIKeyFAHCZBBENUPCGB-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.34
Rot. Bonds5

About N-[[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine

N-[[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine (PubChem CID 114822846) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine
PubChem CID114822846
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-[[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine
SMILESCCNC(c1ccccc1)c1nnc(-c2coc(C)c2)o1
InChIInChI=1S/C16H17N3O2/c1-3-17-14(12-7-5-4-6-8-12)16-19-18-15(21-16)13-9-11(2)20-10-13/h4-10,14,17H,3H2,1-2H3
InChIKeyFAHCZBBENUPCGB-UHFFFAOYSA-N
XLogP3.34
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethanamine
CID 114822833
N-ethyl-1-[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 114822856
N-[[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine
CID 106855933
N-[[5-(4-methylthiophen-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine
CID 79808204
N-[phenyl-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 63079825
N-methyl-1-phenyl-1-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanamine
CID 62162503
1-[5-(4-iodophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine
CID 62162679
1-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine
CID 62164426
N-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine
CID 62907458
N-benzhydrylethanamine;ethane
CID 142974710
N-[(R)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylaniline
CID 92700673
N-[[5-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine
CID 107183233

Frequently Asked Questions

What is the IUPAC name of N-[[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine?
The IUPAC name of N-[[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine (CID 114822846) is N-[[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine.
What is the SMILES notation for N-[[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine?
The canonical SMILES for N-[[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine is CCNC(c1ccccc1)c1nnc(-c2coc(C)c2)o1.
What is the InChIKey of N-[[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine?
The InChIKey is FAHCZBBENUPCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-3-17-14(12-7-5-4-6-8-12)16-19-18-15(21-16)13-9-11(2)20-10-13/h4-10,14,17H,3H2,1-2H3.
What are the key properties of N-[[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine?
N-[[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine has a molecular weight of 283.33 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine is sourced from PubChem (CID 114822846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).