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

C15H11F2N5O2 — CID 109318857

IUPACN-(3,4-difluorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
SMILESCc1cc(Nc2nccc(C(=O)Nc3ccc(F)c(F)c3)n2)no1
InChIInChI=1S/C15H11F2N5O2/c1-8-6-13(22-24-8)21-15-18-5-4-12(20-15)14(23)19-9-2-3-10(16)11(17)7-9/h2-7H,1H3,(H,19,23)(H,18,20,21,22)
InChIKeyRBKHNDFCAYNNGL-UHFFFAOYSA-N
MW331.28 g/mol
LogP3.05
Rot. Bonds4

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

N-(3,4-difluorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide (PubChem CID 109318857) has the molecular formula C15H11F2N5O2 and a molecular weight of 331.28 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
PubChem CID109318857
Molecular FormulaC15H11F2N5O2
Molecular Weight331.28 g/mol
Exact Mass331.09
IUPAC NameN-(3,4-difluorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
SMILESCc1cc(Nc2nccc(C(=O)Nc3ccc(F)c(F)c3)n2)no1
InChIInChI=1S/C15H11F2N5O2/c1-8-6-13(22-24-8)21-15-18-5-4-12(20-15)14(23)19-9-2-3-10(16)11(17)7-9/h2-7H,1H3,(H,19,23)(H,18,20,21,22)
InChIKeyRBKHNDFCAYNNGL-UHFFFAOYSA-N
XLogP3.05
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.28
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109317370
2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109314183
N-(4-acetylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109318244
2-(3-chloro-4-fluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109317346
N-(4-ethylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109315784
N-(3,4-difluorophenyl)-2-(3,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109315178
2-(4-acetamidoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109318283
N-(2,6-dimethylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109315385
2-(4-acetylanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109318223
N-(3,4-difluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide
CID 109130413
2-(4-tert-butylanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109316405
N-(3,4-difluorophenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109318006

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide (CID 109318857) is N-(3,4-difluorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide is Cc1cc(Nc2nccc(C(=O)Nc3ccc(F)c(F)c3)n2)no1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide?
The InChIKey is RBKHNDFCAYNNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N5O2/c1-8-6-13(22-24-8)21-15-18-5-4-12(20-15)14(23)19-9-2-3-10(16)11(17)7-9/h2-7H,1H3,(H,19,23)(H,18,20,21,22).
What are the key properties of N-(3,4-difluorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide?
N-(3,4-difluorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide has a molecular weight of 331.28 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109318857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).