(1R)-N-[(3-chlorothiophen-2-yl)methyl]-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine

C15H13ClFN3OS — CID 124625617

IUPAC(1R)-N-[(3-chlorothiophen-2-yl)methyl]-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESC[C@@H](NCc1sccc1Cl)c1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C15H13ClFN3OS/c1-9(18-8-13-12(16)5-6-22-13)15-19-14(20-21-15)10-3-2-4-11(17)7-10/h2-7,9,18H,8H2,1H3/t9-/m1/s1
InChIKeyQRMWVVZDDHGMET-SECBINFHSA-N
MW337.81 g/mol
LogP4.44
Rot. Bonds5

About (1R)-N-[(3-chlorothiophen-2-yl)methyl]-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine

(1R)-N-[(3-chlorothiophen-2-yl)methyl]-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 124625617) has the molecular formula C15H13ClFN3OS and a molecular weight of 337.81 g/mol. Its IUPAC name is (1R)-N-[(3-chlorothiophen-2-yl)methyl]-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name(1R)-N-[(3-chlorothiophen-2-yl)methyl]-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID124625617
Molecular FormulaC15H13ClFN3OS
Molecular Weight337.81 g/mol
Exact Mass337.05
IUPAC Name(1R)-N-[(3-chlorothiophen-2-yl)methyl]-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESC[C@@H](NCc1sccc1Cl)c1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C15H13ClFN3OS/c1-9(18-8-13-12(16)5-6-22-13)15-19-14(20-21-15)10-3-2-4-11(17)7-10/h2-7,9,18H,8H2,1H3/t9-/m1/s1
InChIKeyQRMWVVZDDHGMET-SECBINFHSA-N
XLogP4.44
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R)-N-[(3-chlorothiophen-2-yl)methyl]-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 119342756
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 119138717
4-amino-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide
CID 120563931
(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 162768019
2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine
CID 63560867
3-[4-(3-fluorophenyl)phenyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 71088156
N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-pyrrolidin-2-ylacetamide
CID 119817198
1-[(4-cyclopropylphenyl)methyl]-3-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]urea
CID 119047290
1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol
CID 63346038
N-[1-(4-chlorophenyl)ethyl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 133200580
(1R,2R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine;hydrochloride
CID 162768050
4-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673982

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(3-chlorothiophen-2-yl)methyl]-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of (1R)-N-[(3-chlorothiophen-2-yl)methyl]-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 124625617) is (1R)-N-[(3-chlorothiophen-2-yl)methyl]-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for (1R)-N-[(3-chlorothiophen-2-yl)methyl]-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for (1R)-N-[(3-chlorothiophen-2-yl)methyl]-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine is C[C@@H](NCc1sccc1Cl)c1nc(-c2cccc(F)c2)no1.
What is the InChIKey of (1R)-N-[(3-chlorothiophen-2-yl)methyl]-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is QRMWVVZDDHGMET-SECBINFHSA-N. The full InChI is InChI=1S/C15H13ClFN3OS/c1-9(18-8-13-12(16)5-6-22-13)15-19-14(20-21-15)10-3-2-4-11(17)7-10/h2-7,9,18H,8H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-N-[(3-chlorothiophen-2-yl)methyl]-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine?
(1R)-N-[(3-chlorothiophen-2-yl)methyl]-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 337.81 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(3-chlorothiophen-2-yl)methyl]-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 124625617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).