2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-prop-2-enylacetamide

C18H17FN4O3 — CID 53108016

IUPAC2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1nc(CC)nc2onc(-c3ccc(F)cc3)c12
InChIInChI=1S/C18H17FN4O3/c1-3-9-20-14(24)10-25-17-15-16(11-5-7-12(19)8-6-11)23-26-18(15)22-13(4-2)21-17/h3,5-8H,1,4,9-10H2,2H3,(H,20,24)
InChIKeyKZPRJQUBUPCWPB-UHFFFAOYSA-N
MW356.36 g/mol
LogP2.67
Rot. Bonds7

About 2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-prop-2-enylacetamide

2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-prop-2-enylacetamide (PubChem CID 53108016) has the molecular formula C18H17FN4O3 and a molecular weight of 356.36 g/mol. Its IUPAC name is 2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-prop-2-enylacetamide
PubChem CID53108016
Molecular FormulaC18H17FN4O3
Molecular Weight356.36 g/mol
Exact Mass356.13
IUPAC Name2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1nc(CC)nc2onc(-c3ccc(F)cc3)c12
InChIInChI=1S/C18H17FN4O3/c1-3-9-20-14(24)10-25-17-15-16(11-5-7-12(19)8-6-11)23-26-18(15)22-13(4-2)21-17/h3,5-8H,1,4,9-10H2,2H3,(H,20,24)
InChIKeyKZPRJQUBUPCWPB-UHFFFAOYSA-N
XLogP2.67
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-prop-2-enylacetamide 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-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(2-methoxyethyl)acetamide
CID 53108013
2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(pyridin-2-ylmethyl)acetamide
CID 53199219
2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(1-phenylethyl)acetamide
CID 53108011
2-[[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(2-methoxyethyl)acetamide
CID 53107866
2-[[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-[(2-methylphenyl)methyl]acetamide
CID 53107887
N-[(4-fluorophenyl)methyl]-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide
CID 53107773
2-[[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(3-phenylpropyl)acetamide
CID 53107859
N-[(5-bromo-2-methoxyphenyl)methyl]-2-[(6-ethyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide
CID 53107907
2-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-prop-2-enylacetamide
CID 45032444
N-[(2-chloro-4-fluorophenyl)methyl]-2-[(6-methyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)oxy]acetamide
CID 53107791
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]acetamide
CID 93070893
3-(4-fluorophenyl)-N-prop-2-enyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315490

Frequently Asked Questions

What is the IUPAC name of 2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-prop-2-enylacetamide?
The IUPAC name of 2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-prop-2-enylacetamide (CID 53108016) is 2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-prop-2-enylacetamide is C=CCNC(=O)COc1nc(CC)nc2onc(-c3ccc(F)cc3)c12.
What is the InChIKey of 2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-prop-2-enylacetamide?
The InChIKey is KZPRJQUBUPCWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3/c1-3-9-20-14(24)10-25-17-15-16(11-5-7-12(19)8-6-11)23-26-18(15)22-13(4-2)21-17/h3,5-8H,1,4,9-10H2,2H3,(H,20,24).
What are the key properties of 2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-prop-2-enylacetamide?
2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-prop-2-enylacetamide has a molecular weight of 356.36 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-prop-2-enylacetamide is sourced from PubChem (CID 53108016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).