N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[[3-(furan-2-yl)phenyl]methyl]ethanamine

C19H21N3O2 — CID 77086142

IUPACN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[[3-(furan-2-yl)phenyl]methyl]ethanamine
SMILESCCN(Cc1cccc(-c2ccco2)c1)Cc1noc(C2CC2)n1
InChIInChI=1S/C19H21N3O2/c1-2-22(13-18-20-19(24-21-18)15-8-9-15)12-14-5-3-6-16(11-14)17-7-4-10-23-17/h3-7,10-11,15H,2,8-9,12-13H2,1H3
InChIKeyDHUVUTQLLJFXHS-UHFFFAOYSA-N
MW323.40 g/mol
LogP4.23
Rot. Bonds7

About N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[[3-(furan-2-yl)phenyl]methyl]ethanamine

N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[[3-(furan-2-yl)phenyl]methyl]ethanamine (PubChem CID 77086142) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[[3-(furan-2-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[[3-(furan-2-yl)phenyl]methyl]ethanamine
PubChem CID77086142
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[[3-(furan-2-yl)phenyl]methyl]ethanamine
SMILESCCN(Cc1cccc(-c2ccco2)c1)Cc1noc(C2CC2)n1
InChIInChI=1S/C19H21N3O2/c1-2-22(13-18-20-19(24-21-18)15-8-9-15)12-14-5-3-6-16(11-14)17-7-4-10-23-17/h3-7,10-11,15H,2,8-9,12-13H2,1H3
InChIKeyDHUVUTQLLJFXHS-UHFFFAOYSA-N
XLogP4.23
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[[3-(furan-2-yl)phenyl]methyl]ethanamine with MolForge

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Related Compounds

8-chloro-2-[[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]methyl]-1H-quinolin-4-one
CID 72894620
3-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]methyl]-1-methylquinolin-2-one
CID 91841894
2-[ethyl-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol
CID 62020296
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(3-methylphenyl)methyl]ethanamine
CID 51078845
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3-methylsulfanylphenyl)methyl]ethanamine
CID 74238053
1-[ethyl-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]amino]-2-methylpropan-2-ol
CID 79389456
4-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]methyl]-6,7-dimethylchromen-2-one
CID 50954633
N-[(3-chlorophenyl)methyl]-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 112829057
(3S)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-phenylethyl)pyrrolidin-3-amine
CID 97318188
2-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]-N-cyclopropylacetamide
CID 91838899
2-[butyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
CID 61360390
N-[[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine
CID 61496946

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[[3-(furan-2-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[[3-(furan-2-yl)phenyl]methyl]ethanamine (CID 77086142) is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[[3-(furan-2-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[[3-(furan-2-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[[3-(furan-2-yl)phenyl]methyl]ethanamine is CCN(Cc1cccc(-c2ccco2)c1)Cc1noc(C2CC2)n1.
What is the InChIKey of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[[3-(furan-2-yl)phenyl]methyl]ethanamine?
The InChIKey is DHUVUTQLLJFXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-2-22(13-18-20-19(24-21-18)15-8-9-15)12-14-5-3-6-16(11-14)17-7-4-10-23-17/h3-7,10-11,15H,2,8-9,12-13H2,1H3.
What are the key properties of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[[3-(furan-2-yl)phenyl]methyl]ethanamine?
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[[3-(furan-2-yl)phenyl]methyl]ethanamine has a molecular weight of 323.40 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[[3-(furan-2-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 77086142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).