N-[2-[5-(3-chloro-4-iodophenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine

C14H16ClIN2O — CID 103213204

IUPACN-[2-[5-(3-chloro-4-iodophenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
SMILESCC(C)NCCc1ncc(-c2ccc(I)c(Cl)c2)o1
InChIInChI=1S/C14H16ClIN2O/c1-9(2)17-6-5-14-18-8-13(19-14)10-3-4-12(16)11(15)7-10/h3-4,7-9,17H,5-6H2,1-2H3
InChIKeyASVVOSNYJBHICT-UHFFFAOYSA-N
MW390.65 g/mol
LogP4.14
Rot. Bonds5

About N-[2-[5-(3-chloro-4-iodophenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine

N-[2-[5-(3-chloro-4-iodophenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine (PubChem CID 103213204) has the molecular formula C14H16ClIN2O and a molecular weight of 390.65 g/mol. Its IUPAC name is N-[2-[5-(3-chloro-4-iodophenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[5-(3-chloro-4-iodophenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
PubChem CID103213204
Molecular FormulaC14H16ClIN2O
Molecular Weight390.65 g/mol
Exact Mass390.00
IUPAC NameN-[2-[5-(3-chloro-4-iodophenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
SMILESCC(C)NCCc1ncc(-c2ccc(I)c(Cl)c2)o1
InChIInChI=1S/C14H16ClIN2O/c1-9(2)17-6-5-14-18-8-13(19-14)10-3-4-12(16)11(15)7-10/h3-4,7-9,17H,5-6H2,1-2H3
InChIKeyASVVOSNYJBHICT-UHFFFAOYSA-N
XLogP4.14
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.65
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[2-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
CID 65183522
3-[5-(4-bromo-3-chlorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 81307023
2-[5-(3-chloro-4-methylphenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 65183235
3-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 65187422
3-[5-(4-bromo-2-chlorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 65187377
N-[2-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
CID 65182190
3-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 65187082
3-[5-(3-chloro-5-methylphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 81324586
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 65187513
2-methyl-N-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65182659
2-methyl-N-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
CID 65182553
N-[2-[5-(2-bromofuran-3-yl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
CID 106856309

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(3-chloro-4-iodophenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[5-(3-chloro-4-iodophenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine (CID 103213204) is N-[2-[5-(3-chloro-4-iodophenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[5-(3-chloro-4-iodophenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[5-(3-chloro-4-iodophenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine is CC(C)NCCc1ncc(-c2ccc(I)c(Cl)c2)o1.
What is the InChIKey of N-[2-[5-(3-chloro-4-iodophenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine?
The InChIKey is ASVVOSNYJBHICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClIN2O/c1-9(2)17-6-5-14-18-8-13(19-14)10-3-4-12(16)11(15)7-10/h3-4,7-9,17H,5-6H2,1-2H3.
What are the key properties of N-[2-[5-(3-chloro-4-iodophenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine?
N-[2-[5-(3-chloro-4-iodophenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine has a molecular weight of 390.65 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(3-chloro-4-iodophenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine is sourced from PubChem (CID 103213204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).