N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-1,3-oxazole-4-carboxamide

C16H16FN5O3 — CID 70234192

IUPACN-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-1,3-oxazole-4-carboxamide
SMILESCN1C(=O)CC(C)(c2cc(NC(=O)c3cocn3)ccc2F)N=C1N
InChIInChI=1S/C16H16FN5O3/c1-16(6-13(23)22(2)15(18)21-16)10-5-9(3-4-11(10)17)20-14(24)12-7-25-8-19-12/h3-5,7-8H,6H2,1-2H3,(H2,18,21)(H,20,24)
InChIKeyKXJCUUOQCGOOJR-UHFFFAOYSA-N
MW345.33 g/mol
LogP1.46
Rot. Bonds3

About N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-1,3-oxazole-4-carboxamide

N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-1,3-oxazole-4-carboxamide (PubChem CID 70234192) has the molecular formula C16H16FN5O3 and a molecular weight of 345.33 g/mol. Its IUPAC name is N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-1,3-oxazole-4-carboxamide
PubChem CID70234192
Molecular FormulaC16H16FN5O3
Molecular Weight345.33 g/mol
Exact Mass345.12
IUPAC NameN-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-1,3-oxazole-4-carboxamide
SMILESCN1C(=O)CC(C)(c2cc(NC(=O)c3cocn3)ccc2F)N=C1N
InChIInChI=1S/C16H16FN5O3/c1-16(6-13(23)22(2)15(18)21-16)10-5-9(3-4-11(10)17)20-14(24)12-7-25-8-19-12/h3-5,7-8H,6H2,1-2H3,(H2,18,21)(H,20,24)
InChIKeyKXJCUUOQCGOOJR-UHFFFAOYSA-N
XLogP1.46
TPSA113.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-1,3-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-1,3-oxazole-4-carboxamide (CID 70234192) is N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-1,3-oxazole-4-carboxamide is CN1C(=O)CC(C)(c2cc(NC(=O)c3cocn3)ccc2F)N=C1N.
What is the InChIKey of N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is KXJCUUOQCGOOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O3/c1-16(6-13(23)22(2)15(18)21-16)10-5-9(3-4-11(10)17)20-14(24)12-7-25-8-19-12/h3-5,7-8H,6H2,1-2H3,(H2,18,21)(H,20,24).
What are the key properties of N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-1,3-oxazole-4-carboxamide?
N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 345.33 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 70234192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).