N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-1,2-oxazole-5-carboxamide

C16H13FN4O3 — CID 90516180

IUPACN-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCCn1cnc(-c2ccc(F)cc2)cc1=O)c1ccno1
InChIInChI=1S/C16H13FN4O3/c17-12-3-1-11(2-4-12)13-9-15(22)21(10-19-13)8-7-18-16(23)14-5-6-20-24-14/h1-6,9-10H,7-8H2,(H,18,23)
InChIKeyJFYILFHHFHHCHA-UHFFFAOYSA-N
MW328.30 g/mol
LogP1.47
Rot. Bonds5

About N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-1,2-oxazole-5-carboxamide

N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-1,2-oxazole-5-carboxamide (PubChem CID 90516180) has the molecular formula C16H13FN4O3 and a molecular weight of 328.30 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-1,2-oxazole-5-carboxamide
PubChem CID90516180
Molecular FormulaC16H13FN4O3
Molecular Weight328.30 g/mol
Exact Mass328.10
IUPAC NameN-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCCn1cnc(-c2ccc(F)cc2)cc1=O)c1ccno1
InChIInChI=1S/C16H13FN4O3/c17-12-3-1-11(2-4-12)13-9-15(22)21(10-19-13)8-7-18-16(23)14-5-6-20-24-14/h1-6,9-10H,7-8H2,(H,18,23)
InChIKeyJFYILFHHFHHCHA-UHFFFAOYSA-N
XLogP1.47
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-1,2-oxazole-5-carboxamide (CID 90516180) is N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-1,2-oxazole-5-carboxamide is O=C(NCCn1cnc(-c2ccc(F)cc2)cc1=O)c1ccno1.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-1,2-oxazole-5-carboxamide?
The InChIKey is JFYILFHHFHHCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O3/c17-12-3-1-11(2-4-12)13-9-15(22)21(10-19-13)8-7-18-16(23)14-5-6-20-24-14/h1-6,9-10H,7-8H2,(H,18,23).
What are the key properties of N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-1,2-oxazole-5-carboxamide?
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-1,2-oxazole-5-carboxamide has a molecular weight of 328.30 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 90516180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).