N-ethyl-1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine

C16H22FN3O — CID 63347693

IUPACN-ethyl-1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
SMILESCCNC(Cc1nc(Cc2ccc(F)cc2)no1)C(C)C
InChIInChI=1S/C16H22FN3O/c1-4-18-14(11(2)3)10-16-19-15(20-21-16)9-12-5-7-13(17)8-6-12/h5-8,11,14,18H,4,9-10H2,1-3H3
InChIKeyODPVCYBVUTXUGM-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.98
Rot. Bonds7

About N-ethyl-1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine

N-ethyl-1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine (PubChem CID 63347693) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is N-ethyl-1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
PubChem CID63347693
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC NameN-ethyl-1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
SMILESCCNC(Cc1nc(Cc2ccc(F)cc2)no1)C(C)C
InChIInChI=1S/C16H22FN3O/c1-4-18-14(11(2)3)10-16-19-15(20-21-16)9-12-5-7-13(17)8-6-12/h5-8,11,14,18H,4,9-10H2,1-3H3
InChIKeyODPVCYBVUTXUGM-UHFFFAOYSA-N
XLogP2.98
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 62827855
1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-ethyl-3-methylbutan-2-amine
CID 79086275
N-ethyl-1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 63352289
1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-one
CID 55202967
N-ethyl-3-methyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350659
N-ethyl-3,3-dimethyl-1-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63352564
1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine
CID 63348126
N-ethyl-3-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 82007807
1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 64670656
N-ethyl-3-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 55203186
2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]acetaldehyde
CID 115080575
1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine
CID 79718812

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine?
The IUPAC name of N-ethyl-1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine (CID 63347693) is N-ethyl-1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine.
What is the SMILES notation for N-ethyl-1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine?
The canonical SMILES for N-ethyl-1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine is CCNC(Cc1nc(Cc2ccc(F)cc2)no1)C(C)C.
What is the InChIKey of N-ethyl-1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine?
The InChIKey is ODPVCYBVUTXUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-4-18-14(11(2)3)10-16-19-15(20-21-16)9-12-5-7-13(17)8-6-12/h5-8,11,14,18H,4,9-10H2,1-3H3.
What are the key properties of N-ethyl-1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine?
N-ethyl-1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine has a molecular weight of 291.37 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine is sourced from PubChem (CID 63347693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).