N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-5-methylthieno[2,3-d]pyrimidin-4-amine

C17H13FN4OS — CID 73441877

IUPACN-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-5-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1csc2ncnc(NCc3cc(-c4ccc(F)cc4)no3)c12
InChIInChI=1S/C17H13FN4OS/c1-10-8-24-17-15(10)16(20-9-21-17)19-7-13-6-14(22-23-13)11-2-4-12(18)5-3-11/h2-6,8-9H,7H2,1H3,(H,19,20,21)
InChIKeyXFKQTXYBOFUPHQ-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.41
Rot. Bonds4

About N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-5-methylthieno[2,3-d]pyrimidin-4-amine

N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-5-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 73441877) has the molecular formula C17H13FN4OS and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-5-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-5-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID73441877
Molecular FormulaC17H13FN4OS
Molecular Weight340.38 g/mol
Exact Mass340.08
IUPAC NameN-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-5-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1csc2ncnc(NCc3cc(-c4ccc(F)cc4)no3)c12
InChIInChI=1S/C17H13FN4OS/c1-10-8-24-17-15(10)16(20-9-21-17)19-7-13-6-14(22-23-13)11-2-4-12(18)5-3-11/h2-6,8-9H,7H2,1H3,(H,19,20,21)
InChIKeyXFKQTXYBOFUPHQ-UHFFFAOYSA-N
XLogP4.41
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-5-methylthieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-(5-methyl-2-pyridinyl)-4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine
CID 51002828
4-(3-phenyl-1,2-oxazol-5-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 51002927
6-(3,5-dimethylisoxazol-4-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 3234462
6-(3,5-dimethylisoxazol-4-yl)-N-((4-methylthiophen-2-yl)methyl)quinazolin-4-amine
CID 16759572
6-(3,5-dimethyl-4-isoxazolyl)-N-[(3-methyl-2-thiophenyl)methyl]-4-quinazolinamine
CID 17757095
5-(3-methyl-1,2-oxazol-5-yl)-4-(5-methylthiophen-2-yl)-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 95799419
N-(4-methyl-2-pyridinyl)-4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine
CID 51002928
[4-(3-Phenylisoxazol-5-yl)-thiazol-2-yl]-pyridin-4-yl-amine
CID 51002930
(2S)-1-N-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(3-fluoro-4-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 89596432
(2S)-1-N-[7-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 89596602
(2S)-1-N-[7-(5-ethyl-1,2-oxazol-3-yl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 89596686
2-((5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl)thio)-1-(4-(5-fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)ethanone
CID 1179317

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-5-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-5-methylthieno[2,3-d]pyrimidin-4-amine (CID 73441877) is N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-5-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-5-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-5-methylthieno[2,3-d]pyrimidin-4-amine is Cc1csc2ncnc(NCc3cc(-c4ccc(F)cc4)no3)c12.
What is the InChIKey of N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-5-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is XFKQTXYBOFUPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4OS/c1-10-8-24-17-15(10)16(20-9-21-17)19-7-13-6-14(22-23-13)11-2-4-12(18)5-3-11/h2-6,8-9H,7H2,1H3,(H,19,20,21).
What are the key properties of N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-5-methylthieno[2,3-d]pyrimidin-4-amine?
N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-5-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 340.38 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-5-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 73441877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).