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

C20H22N6O2 — CID 109310359

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
SMILESCc1cccc(N2CCN(c3nccc(C(=O)Nc4cc(C)on4)n3)CC2)c1
InChIInChI=1S/C20H22N6O2/c1-14-4-3-5-16(12-14)25-8-10-26(11-9-25)20-21-7-6-17(22-20)19(27)23-18-13-15(2)28-24-18/h3-7,12-13H,8-11H2,1-2H3,(H,23,24,27)
InChIKeyVZRMNFNRBPFXGV-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.66
Rot. Bonds4

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

N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide (PubChem CID 109310359) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
PubChem CID109310359
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
SMILESCc1cccc(N2CCN(c3nccc(C(=O)Nc4cc(C)on4)n3)CC2)c1
InChIInChI=1S/C20H22N6O2/c1-14-4-3-5-16(12-14)25-8-10-26(11-9-25)20-21-7-6-17(22-20)19(27)23-18-13-15(2)28-24-18/h3-7,12-13H,8-11H2,1-2H3,(H,23,24,27)
InChIKeyVZRMNFNRBPFXGV-UHFFFAOYSA-N
XLogP2.66
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302195
N-(4-methylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109310350
2-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidine-4-carboxamide
CID 109310347
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109373111
N-(5-methyl-1,2-oxazol-3-yl)-6-[4-(3-methylphenyl)piperazin-1-yl]pyridazine-3-carboxamide
CID 109123938
N-(4-cyanophenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109310358
N-butan-2-yl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109297331
N-(5-methyl-1,2-oxazol-3-yl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312759
N-(3-methoxypropyl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109300202
N-(5-methyl-1,2-oxazol-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 35799420
6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109325856
N-(3,4-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109309479

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide (CID 109310359) is N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide is Cc1cccc(N2CCN(c3nccc(C(=O)Nc4cc(C)on4)n3)CC2)c1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide?
The InChIKey is VZRMNFNRBPFXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-14-4-3-5-16(12-14)25-8-10-26(11-9-25)20-21-7-6-17(22-20)19(27)23-18-13-15(2)28-24-18/h3-7,12-13H,8-11H2,1-2H3,(H,23,24,27).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide has a molecular weight of 378.44 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 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-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109310359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).