N-(5-methyl-1,2-oxazol-3-yl)-2-(4-phenoxyanilino)pyrimidine-4-carboxamide

C21H17N5O3 — CID 109318464

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-(4-phenoxyanilino)pyrimidine-4-carboxamide
SMILESCc1cc(NC(=O)c2ccnc(Nc3ccc(Oc4ccccc4)cc3)n2)no1
InChIInChI=1S/C21H17N5O3/c1-14-13-19(26-29-14)25-20(27)18-11-12-22-21(24-18)23-15-7-9-17(10-8-15)28-16-5-3-2-4-6-16/h2-13H,1H3,(H,22,23,24)(H,25,26,27)
InChIKeyJLNLGQNDCNJPAX-UHFFFAOYSA-N
MW387.40 g/mol
LogP4.56
Rot. Bonds6

About N-(5-methyl-1,2-oxazol-3-yl)-2-(4-phenoxyanilino)pyrimidine-4-carboxamide

N-(5-methyl-1,2-oxazol-3-yl)-2-(4-phenoxyanilino)pyrimidine-4-carboxamide (PubChem CID 109318464) has the molecular formula C21H17N5O3 and a molecular weight of 387.40 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-(4-phenoxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-(4-phenoxyanilino)pyrimidine-4-carboxamide
PubChem CID109318464
Molecular FormulaC21H17N5O3
Molecular Weight387.40 g/mol
Exact Mass387.13
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-(4-phenoxyanilino)pyrimidine-4-carboxamide
SMILESCc1cc(NC(=O)c2ccnc(Nc3ccc(Oc4ccccc4)cc3)n2)no1
InChIInChI=1S/C21H17N5O3/c1-14-13-19(26-29-14)25-20(27)18-11-12-22-21(24-18)23-15-7-9-17(10-8-15)28-16-5-3-2-4-6-16/h2-13H,1H3,(H,22,23,24)(H,25,26,27)
InChIKeyJLNLGQNDCNJPAX-UHFFFAOYSA-N
XLogP4.56
TPSA102.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-acetamidoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109318283
methyl 4-[[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109318361
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109316127
2-(3,4-dimethoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109318092
N-(5-methyl-1,2-oxazol-3-yl)-6-(4-phenoxyanilino)pyridazine-3-carboxamide
CID 109130085
2-(2-chloroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109316757
2-(3-chloro-4-fluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109317346
2-(2-fluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109316500
2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109314183
N-(5-methyl-1,2-oxazol-3-yl)-4-(2-phenoxyanilino)pyridine-2-carboxamide
CID 109222599
N-(4-acetylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109318244
N-(2,6-dimethylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109315385

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(4-phenoxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(4-phenoxyanilino)pyrimidine-4-carboxamide (CID 109318464) is N-(5-methyl-1,2-oxazol-3-yl)-2-(4-phenoxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-(4-phenoxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-(4-phenoxyanilino)pyrimidine-4-carboxamide is Cc1cc(NC(=O)c2ccnc(Nc3ccc(Oc4ccccc4)cc3)n2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-(4-phenoxyanilino)pyrimidine-4-carboxamide?
The InChIKey is JLNLGQNDCNJPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O3/c1-14-13-19(26-29-14)25-20(27)18-11-12-22-21(24-18)23-15-7-9-17(10-8-15)28-16-5-3-2-4-6-16/h2-13H,1H3,(H,22,23,24)(H,25,26,27).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-(4-phenoxyanilino)pyrimidine-4-carboxamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-phenoxyanilino)pyrimidine-4-carboxamide has a molecular weight of 387.40 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-(4-phenoxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109318464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).