2-(3-fluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide

C15H12FN5O2 — CID 109270413

IUPAC2-(3-fluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide
SMILESCc1cc(NC(=O)c2cnc(Nc3cccc(F)c3)nc2)no1
InChIInChI=1S/C15H12FN5O2/c1-9-5-13(21-23-9)20-14(22)10-7-17-15(18-8-10)19-12-4-2-3-11(16)6-12/h2-8H,1H3,(H,17,18,19)(H,20,21,22)
InChIKeyKRHVLPZSEPUYIE-UHFFFAOYSA-N
MW313.29 g/mol
LogP2.91
Rot. Bonds4

About 2-(3-fluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide

2-(3-fluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide (PubChem CID 109270413) has the molecular formula C15H12FN5O2 and a molecular weight of 313.29 g/mol. Its IUPAC name is 2-(3-fluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-fluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide
PubChem CID109270413
Molecular FormulaC15H12FN5O2
Molecular Weight313.29 g/mol
Exact Mass313.10
IUPAC Name2-(3-fluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide
SMILESCc1cc(NC(=O)c2cnc(Nc3cccc(F)c3)nc2)no1
InChIInChI=1S/C15H12FN5O2/c1-9-5-13(21-23-9)20-14(22)10-7-17-15(18-8-10)19-12-4-2-3-11(16)6-12/h2-8H,1H3,(H,17,18,19)(H,20,21,22)
InChIKeyKRHVLPZSEPUYIE-UHFFFAOYSA-N
XLogP2.91
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chloroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide
CID 109268924
2-(3-fluoroanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265542
N-(3,5-dimethylphenyl)-2-(3-fluoroanilino)pyrimidine-5-carboxamide
CID 109266885
2-(4-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide
CID 109269397
N-(4-ethylphenyl)-2-(3-fluoroanilino)pyrimidine-5-carboxamide
CID 109267473
2-(4-chloroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 109268903
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109268195
2-(3-chloro-4-fluoroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 109269249
2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265476
N-(3-fluorophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109270045
N-(3-fluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109359696
N-(5-methyl-1,2-oxazol-3-yl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
CID 109259097

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(3-fluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide (CID 109270413) is 2-(3-fluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-fluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-fluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide is Cc1cc(NC(=O)c2cnc(Nc3cccc(F)c3)nc2)no1.
What is the InChIKey of 2-(3-fluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide?
The InChIKey is KRHVLPZSEPUYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN5O2/c1-9-5-13(21-23-9)20-14(22)10-7-17-15(18-8-10)19-12-4-2-3-11(16)6-12/h2-8H,1H3,(H,17,18,19)(H,20,21,22).
What are the key properties of 2-(3-fluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide?
2-(3-fluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide has a molecular weight of 313.29 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109270413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).