N-[1-(2,3-dichlorophenyl)-2-(5-fluoro-3-pyridinyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine

C16H14Cl2FN3O — CID 58138934

IUPACN-[1-(2,3-dichlorophenyl)-2-(5-fluoro-3-pyridinyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESFc1cncc(CC(NC2=NCCO2)c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C16H14Cl2FN3O/c17-13-3-1-2-12(15(13)18)14(22-16-21-4-5-23-16)7-10-6-11(19)9-20-8-10/h1-3,6,8-9,14H,4-5,7H2,(H,21,22)
InChIKeyAUDHYLDUJWCKHI-UHFFFAOYSA-N
MW354.21 g/mol
LogP3.79
Rot. Bonds4

About N-[1-(2,3-dichlorophenyl)-2-(5-fluoro-3-pyridinyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine

N-[1-(2,3-dichlorophenyl)-2-(5-fluoro-3-pyridinyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 58138934) has the molecular formula C16H14Cl2FN3O and a molecular weight of 354.21 g/mol. Its IUPAC name is N-[1-(2,3-dichlorophenyl)-2-(5-fluoro-3-pyridinyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-[1-(2,3-dichlorophenyl)-2-(5-fluoro-3-pyridinyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID58138934
Molecular FormulaC16H14Cl2FN3O
Molecular Weight354.21 g/mol
Exact Mass353.05
IUPAC NameN-[1-(2,3-dichlorophenyl)-2-(5-fluoro-3-pyridinyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESFc1cncc(CC(NC2=NCCO2)c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C16H14Cl2FN3O/c17-13-3-1-2-12(15(13)18)14(22-16-21-4-5-23-16)7-10-6-11(19)9-20-8-10/h1-3,6,8-9,14H,4-5,7H2,(H,21,22)
InChIKeyAUDHYLDUJWCKHI-UHFFFAOYSA-N
XLogP3.79
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.21
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dichlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 63417255
1-(2,3-dichlorophenyl)-2-(3,4-dichlorophenyl)-N-ethylethanamine
CID 63415966
1-(2,3-dichlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine
CID 62791096
2-(5-bromo-3-pyridinyl)-1-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105036553
[1-(2,3-dichlorophenyl)-2-pyridin-4-ylethyl]hydrazine
CID 105212439
N-[1-(2,3-dichlorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 115821504
[2-(2,6-dichlorophenyl)-1-(5-fluoro-3-pyridinyl)ethyl]hydrazine
CID 105209818
1-(5-fluoro-3-pyridinyl)propan-2-amine
CID 81020858
2-(3-bromo-4-fluorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine
CID 115818794
3-(2,3-dichlorophenyl)-5-fluoropyridine
CID 133090720
1-(2,3-dichlorophenyl)-2-(2,4-difluorophenyl)-N-methylethanamine
CID 64560819
N-[2-(4-chlorophenyl)-1-(2,3-dichlorophenyl)ethyl]propan-1-amine
CID 63412651

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dichlorophenyl)-2-(5-fluoro-3-pyridinyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of N-[1-(2,3-dichlorophenyl)-2-(5-fluoro-3-pyridinyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 58138934) is N-[1-(2,3-dichlorophenyl)-2-(5-fluoro-3-pyridinyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for N-[1-(2,3-dichlorophenyl)-2-(5-fluoro-3-pyridinyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for N-[1-(2,3-dichlorophenyl)-2-(5-fluoro-3-pyridinyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine is Fc1cncc(CC(NC2=NCCO2)c2cccc(Cl)c2Cl)c1.
What is the InChIKey of N-[1-(2,3-dichlorophenyl)-2-(5-fluoro-3-pyridinyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is AUDHYLDUJWCKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FN3O/c17-13-3-1-2-12(15(13)18)14(22-16-21-4-5-23-16)7-10-6-11(19)9-20-8-10/h1-3,6,8-9,14H,4-5,7H2,(H,21,22).
What are the key properties of N-[1-(2,3-dichlorophenyl)-2-(5-fluoro-3-pyridinyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
N-[1-(2,3-dichlorophenyl)-2-(5-fluoro-3-pyridinyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 354.21 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dichlorophenyl)-2-(5-fluoro-3-pyridinyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 58138934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).