[4-(3-chlorophenyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]methanone

C19H19ClN6O2 — CID 109310440

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]methanone
SMILESCc1cc(Nc2nccc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)n2)no1
InChIInChI=1S/C19H19ClN6O2/c1-13-11-17(24-28-13)23-19-21-6-5-16(22-19)18(27)26-9-7-25(8-10-26)15-4-2-3-14(20)12-15/h2-6,11-12H,7-10H2,1H3,(H,21,22,23,24)
InChIKeyJBGHTHDKXJPDQY-UHFFFAOYSA-N
MW398.85 g/mol
LogP3.13
Rot. Bonds4

About [4-(3-chlorophenyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]methanone

[4-(3-chlorophenyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]methanone (PubChem CID 109310440) has the molecular formula C19H19ClN6O2 and a molecular weight of 398.85 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]methanone
PubChem CID109310440
Molecular FormulaC19H19ClN6O2
Molecular Weight398.85 g/mol
Exact Mass398.13
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]methanone
SMILESCc1cc(Nc2nccc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)n2)no1
InChIInChI=1S/C19H19ClN6O2/c1-13-11-17(24-28-13)23-19-21-6-5-16(22-19)18(27)26-9-7-25(8-10-26)15-4-2-3-14(20)12-15/h2-6,11-12H,7-10H2,1H3,(H,21,22,23,24)
InChIKeyJBGHTHDKXJPDQY-UHFFFAOYSA-N
XLogP3.13
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109309545
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]-5-methyl-1,2-oxazol-3-amine
CID 112898397
[4-(3-chlorophenyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-4-pyridinyl]methanone
CID 109174451
[4-(3-chlorophenyl)piperazin-1-yl]-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]methanone
CID 109353009
[4-(furan-2-carbonyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]methanone
CID 109310528
[4-(3-chlorophenyl)piperazin-1-yl]-[2-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone
CID 109303288
(2-anilinopyrimidin-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109310370
3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-3-oxopropanamide
CID 108950660
[4-(3-chlorophenyl)piperazin-1-yl]-[2-(diethylamino)pyrimidin-4-yl]methanone
CID 109310432
[2-(3-chloroanilino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109310598
[4-(3-chlorophenyl)piperazin-1-yl]-[2-(cyclopentylamino)-6-methylpyrimidin-4-yl]methanone
CID 109321969
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 [4-(3-chlorophenyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]methanone (CID 109310440) is [4-(3-chlorophenyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]methanone is Cc1cc(Nc2nccc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)n2)no1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]methanone?
The InChIKey is JBGHTHDKXJPDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6O2/c1-13-11-17(24-28-13)23-19-21-6-5-16(22-19)18(27)26-9-7-25(8-10-26)15-4-2-3-14(20)12-15/h2-6,11-12H,7-10H2,1H3,(H,21,22,23,24).
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]methanone has a molecular weight of 398.85 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]methanone is sourced from PubChem (CID 109310440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).