N-(3-fluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide

C15H12FN5O2 — CID 109359696

IUPACN-(3-fluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
SMILESCc1cc(Nc2cc(C(=O)Nc3cccc(F)c3)ncn2)no1
InChIInChI=1S/C15H12FN5O2/c1-9-5-14(21-23-9)20-13-7-12(17-8-18-13)15(22)19-11-4-2-3-10(16)6-11/h2-8H,1H3,(H,19,22)(H,17,18,20,21)
InChIKeyPGPBWEHPVBNNFM-UHFFFAOYSA-N
MW313.29 g/mol
LogP2.91
Rot. Bonds4

About N-(3-fluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide

N-(3-fluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide (PubChem CID 109359696) has the molecular formula C15H12FN5O2 and a molecular weight of 313.29 g/mol. Its IUPAC name is N-(3-fluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
PubChem CID109359696
Molecular FormulaC15H12FN5O2
Molecular Weight313.29 g/mol
Exact Mass313.10
IUPAC NameN-(3-fluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
SMILESCc1cc(Nc2cc(C(=O)Nc3cccc(F)c3)ncn2)no1
InChIInChI=1S/C15H12FN5O2/c1-9-5-14(21-23-9)20-13-7-12(17-8-18-13)15(22)19-11-4-2-3-10(16)6-11/h2-8H,1H3,(H,19,22)(H,17,18,20,21)
InChIKeyPGPBWEHPVBNNFM-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

6-(3-acetamidoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109359437
6-(2,6-difluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109359971
6-(2,6-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109359684
6-(3,4-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109359680
6-(3-bromoanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109359672
6-(2-bromoanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109359671
N-(3-fluorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358715
6-(2,5-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109359682
N-(2,3-dimethylphenyl)-6-(3-fluoroanilino)pyrimidine-4-carboxamide
CID 109357229
N-(2,5-dimethylphenyl)-6-(3-fluoroanilino)pyrimidine-4-carboxamide
CID 109356901
6-[2,6-di(propan-2-yl)anilino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109359764
N-(2-ethylphenyl)-6-(3-fluoroanilino)pyrimidine-4-carboxamide
CID 109357311

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide (CID 109359696) is N-(3-fluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide is Cc1cc(Nc2cc(C(=O)Nc3cccc(F)c3)ncn2)no1.
What is the InChIKey of N-(3-fluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide?
The InChIKey is PGPBWEHPVBNNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN5O2/c1-9-5-14(21-23-9)20-13-7-12(17-8-18-13)15(22)19-11-4-2-3-10(16)6-11/h2-8H,1H3,(H,19,22)(H,17,18,20,21).
What are the key properties of N-(3-fluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide?
N-(3-fluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-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 N-(3-fluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109359696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).