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

C20H20ClN5O2 — CID 109174451

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-4-pyridinyl]methanone
SMILESCc1cc(Nc2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)ccn2)no1
InChIInChI=1S/C20H20ClN5O2/c1-14-11-19(24-28-14)23-18-12-15(5-6-22-18)20(27)26-9-7-25(8-10-26)17-4-2-3-16(21)13-17/h2-6,11-13H,7-10H2,1H3,(H,22,23,24)
InChIKeyUMTMKBDOHZGCNK-UHFFFAOYSA-N
MW397.87 g/mol
LogP3.74
Rot. Bonds4

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

[4-(3-chlorophenyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-4-pyridinyl]methanone (PubChem CID 109174451) has the molecular formula C20H20ClN5O2 and a molecular weight of 397.87 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-4-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-4-pyridinyl]methanone
PubChem CID109174451
Molecular FormulaC20H20ClN5O2
Molecular Weight397.87 g/mol
Exact Mass397.13
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-4-pyridinyl]methanone
SMILESCc1cc(Nc2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)ccn2)no1
InChIInChI=1S/C20H20ClN5O2/c1-14-11-19(24-28-14)23-18-12-15(5-6-22-18)20(27)26-9-7-25(8-10-26)17-4-2-3-16(21)13-17/h2-6,11-13H,7-10H2,1H3,(H,22,23,24)
InChIKeyUMTMKBDOHZGCNK-UHFFFAOYSA-N
XLogP3.74
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.87
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-(3-chlorophenyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-4-pyridinyl]methanone with MolForge

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Related Compounds

[4-(3-chlorophenyl)piperazin-1-yl]-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]methanone
CID 109353009
[4-(3-chlorophenyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]methanone
CID 109310440
3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-3-oxopropanamide
CID 108950660
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]-5-methyl-1,2-oxazol-3-amine
CID 112898397
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
[4-(3-chlorophenyl)piperazin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 96588883
(3-chlorophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122349334
[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109309545
[4-(3-chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 788974
[2-(azepan-1-yl)-4-pyridinyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 109174449
N-(2,6-dichlorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carboxamide
CID 109178961
[4-(3-chlorophenyl)piperazin-1-yl]-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]methanone
CID 109166494

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-4-pyridinyl]methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-4-pyridinyl]methanone (CID 109174451) is [4-(3-chlorophenyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-4-pyridinyl]methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-4-pyridinyl]methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-4-pyridinyl]methanone is Cc1cc(Nc2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)ccn2)no1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-4-pyridinyl]methanone?
The InChIKey is UMTMKBDOHZGCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O2/c1-14-11-19(24-28-14)23-18-12-15(5-6-22-18)20(27)26-9-7-25(8-10-26)17-4-2-3-16(21)13-17/h2-6,11-13H,7-10H2,1H3,(H,22,23,24).
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-4-pyridinyl]methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-4-pyridinyl]methanone has a molecular weight of 397.87 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 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]-4-pyridinyl]methanone is sourced from PubChem (CID 109174451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).