N-[[3-(3-fluoro-4-imidazol-1-ylphenyl)-1,2-oxazol-5-yl]methyl]-3-methyl-1,2-thiazol-5-amine

C17H14FN5OS — CID 59983643

IUPACN-[[3-(3-fluoro-4-imidazol-1-ylphenyl)-1,2-oxazol-5-yl]methyl]-3-methyl-1,2-thiazol-5-amine
SMILESCc1cc(NCc2cc(-c3ccc(-n4ccnc4)c(F)c3)no2)sn1
InChIInChI=1S/C17H14FN5OS/c1-11-6-17(25-22-11)20-9-13-8-15(21-24-13)12-2-3-16(14(18)7-12)23-5-4-19-10-23/h2-8,10,20H,9H2,1H3
InChIKeyMNKZKPXHLBUCDU-UHFFFAOYSA-N
MW355.40 g/mol
LogP4.04
Rot. Bonds5

About N-[[3-(3-fluoro-4-imidazol-1-ylphenyl)-1,2-oxazol-5-yl]methyl]-3-methyl-1,2-thiazol-5-amine

N-[[3-(3-fluoro-4-imidazol-1-ylphenyl)-1,2-oxazol-5-yl]methyl]-3-methyl-1,2-thiazol-5-amine (PubChem CID 59983643) has the molecular formula C17H14FN5OS and a molecular weight of 355.40 g/mol. Its IUPAC name is N-[[3-(3-fluoro-4-imidazol-1-ylphenyl)-1,2-oxazol-5-yl]methyl]-3-methyl-1,2-thiazol-5-amine.

Molecular Properties

Compound NameN-[[3-(3-fluoro-4-imidazol-1-ylphenyl)-1,2-oxazol-5-yl]methyl]-3-methyl-1,2-thiazol-5-amine
PubChem CID59983643
Molecular FormulaC17H14FN5OS
Molecular Weight355.40 g/mol
Exact Mass355.09
IUPAC NameN-[[3-(3-fluoro-4-imidazol-1-ylphenyl)-1,2-oxazol-5-yl]methyl]-3-methyl-1,2-thiazol-5-amine
SMILESCc1cc(NCc2cc(-c3ccc(-n4ccnc4)c(F)c3)no2)sn1
InChIInChI=1S/C17H14FN5OS/c1-11-6-17(25-22-11)20-9-13-8-15(21-24-13)12-2-3-16(14(18)7-12)23-5-4-19-10-23/h2-8,10,20H,9H2,1H3
InChIKeyMNKZKPXHLBUCDU-UHFFFAOYSA-N
XLogP4.04
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-fluoro-4-imidazol-1-ylphenyl)-1,2-oxazol-5-yl]methyl]-3-methyl-1,2-thiazol-5-amine?
The IUPAC name of N-[[3-(3-fluoro-4-imidazol-1-ylphenyl)-1,2-oxazol-5-yl]methyl]-3-methyl-1,2-thiazol-5-amine (CID 59983643) is N-[[3-(3-fluoro-4-imidazol-1-ylphenyl)-1,2-oxazol-5-yl]methyl]-3-methyl-1,2-thiazol-5-amine.
What is the SMILES notation for N-[[3-(3-fluoro-4-imidazol-1-ylphenyl)-1,2-oxazol-5-yl]methyl]-3-methyl-1,2-thiazol-5-amine?
The canonical SMILES for N-[[3-(3-fluoro-4-imidazol-1-ylphenyl)-1,2-oxazol-5-yl]methyl]-3-methyl-1,2-thiazol-5-amine is Cc1cc(NCc2cc(-c3ccc(-n4ccnc4)c(F)c3)no2)sn1.
What is the InChIKey of N-[[3-(3-fluoro-4-imidazol-1-ylphenyl)-1,2-oxazol-5-yl]methyl]-3-methyl-1,2-thiazol-5-amine?
The InChIKey is MNKZKPXHLBUCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5OS/c1-11-6-17(25-22-11)20-9-13-8-15(21-24-13)12-2-3-16(14(18)7-12)23-5-4-19-10-23/h2-8,10,20H,9H2,1H3.
What are the key properties of N-[[3-(3-fluoro-4-imidazol-1-ylphenyl)-1,2-oxazol-5-yl]methyl]-3-methyl-1,2-thiazol-5-amine?
N-[[3-(3-fluoro-4-imidazol-1-ylphenyl)-1,2-oxazol-5-yl]methyl]-3-methyl-1,2-thiazol-5-amine has a molecular weight of 355.40 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-fluoro-4-imidazol-1-ylphenyl)-1,2-oxazol-5-yl]methyl]-3-methyl-1,2-thiazol-5-amine is sourced from PubChem (CID 59983643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).