N-ethyl-N-[[5-methyl-4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]furan-2-yl]methyl]ethanamine

C16H23N3O3 — CID 97444577

IUPACN-ethyl-N-[[5-methyl-4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]furan-2-yl]methyl]ethanamine
SMILESCCN(CC)Cc1cc(-c2nc([C@@H]3CCOC3)no2)c(C)o1
InChIInChI=1S/C16H23N3O3/c1-4-19(5-2)9-13-8-14(11(3)21-13)16-17-15(18-22-16)12-6-7-20-10-12/h8,12H,4-7,9-10H2,1-3H3/t12-/m1/s1
InChIKeyMUDNGQGIBPKRIR-GFCCVEGCSA-N
MW305.38 g/mol
LogP2.98
Rot. Bonds6

About N-ethyl-N-[[5-methyl-4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]furan-2-yl]methyl]ethanamine

N-ethyl-N-[[5-methyl-4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]furan-2-yl]methyl]ethanamine (PubChem CID 97444577) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-ethyl-N-[[5-methyl-4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[5-methyl-4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]furan-2-yl]methyl]ethanamine
PubChem CID97444577
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-ethyl-N-[[5-methyl-4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]furan-2-yl]methyl]ethanamine
SMILESCCN(CC)Cc1cc(-c2nc([C@@H]3CCOC3)no2)c(C)o1
InChIInChI=1S/C16H23N3O3/c1-4-19(5-2)9-13-8-14(11(3)21-13)16-17-15(18-22-16)12-6-7-20-10-12/h8,12H,4-7,9-10H2,1-3H3/t12-/m1/s1
InChIKeyMUDNGQGIBPKRIR-GFCCVEGCSA-N
XLogP2.98
TPSA64.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[5-methyl-4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]furan-2-yl]methyl]ethanamine?
The IUPAC name of N-ethyl-N-[[5-methyl-4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]furan-2-yl]methyl]ethanamine (CID 97444577) is N-ethyl-N-[[5-methyl-4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[[5-methyl-4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[[5-methyl-4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]furan-2-yl]methyl]ethanamine is CCN(CC)Cc1cc(-c2nc([C@@H]3CCOC3)no2)c(C)o1.
What is the InChIKey of N-ethyl-N-[[5-methyl-4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]furan-2-yl]methyl]ethanamine?
The InChIKey is MUDNGQGIBPKRIR-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-4-19(5-2)9-13-8-14(11(3)21-13)16-17-15(18-22-16)12-6-7-20-10-12/h8,12H,4-7,9-10H2,1-3H3/t12-/m1/s1.
What are the key properties of N-ethyl-N-[[5-methyl-4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]furan-2-yl]methyl]ethanamine?
N-ethyl-N-[[5-methyl-4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]furan-2-yl]methyl]ethanamine has a molecular weight of 305.38 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[5-methyl-4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 97444577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).