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

C16H19ClN4O3 — CID 70708295

IUPAC[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone
SMILESCOCc1c(C(=O)N2CCN(c3ccc(Cl)cn3)CC2)noc1C
InChIInChI=1S/C16H19ClN4O3/c1-11-13(10-23-2)15(19-24-11)16(22)21-7-5-20(6-8-21)14-4-3-12(17)9-18-14/h3-4,9H,5-8,10H2,1-2H3
InChIKeyDDSHOEZGVYIZIE-UHFFFAOYSA-N
MW350.81 g/mol
LogP2.14
Rot. Bonds4

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

[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone (PubChem CID 70708295) has the molecular formula C16H19ClN4O3 and a molecular weight of 350.81 g/mol. Its IUPAC name is [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone
PubChem CID70708295
Molecular FormulaC16H19ClN4O3
Molecular Weight350.81 g/mol
Exact Mass350.11
IUPAC Name[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone
SMILESCOCc1c(C(=O)N2CCN(c3ccc(Cl)cn3)CC2)noc1C
InChIInChI=1S/C16H19ClN4O3/c1-11-13(10-23-2)15(19-24-11)16(22)21-7-5-20(6-8-21)14-4-3-12(17)9-18-14/h3-4,9H,5-8,10H2,1-2H3
InChIKeyDDSHOEZGVYIZIE-UHFFFAOYSA-N
XLogP2.14
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[5-methyl-4-(phenoxymethyl)-1,2-oxazol-3-yl]methanone
CID 19488081
(3-chloro-6-ethoxy-2-pyridinyl)-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone
CID 155946645
[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 118766446
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[4-[(2,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]methanone
CID 19444815
(4-bromo-5-propan-2-yl-1H-pyrazol-3-yl)-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone
CID 56564765
[4-[(2-chlorophenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methanone
CID 19443475
[4-[(3-bromophenyl)methyl]piperazin-1-yl]-[4-[(4-chlorophenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]methanone
CID 19443855
azepan-1-yl-[4-[(2,6-dimethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]methanone
CID 19486016
1-(5-chloro-2-pyridinyl)-4-[6-(methoxymethyl)-2-pyridinyl]piperazine
CID 75450434
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[4-[(2-fluorophenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]methanone
CID 19490286
4-(5-chloro-2-pyridinyl)-N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]piperazine-1-carboxamide
CID 125438765
[4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
CID 19444507

Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone?
The IUPAC name of [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone (CID 70708295) is [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone?
The canonical SMILES for [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone is COCc1c(C(=O)N2CCN(c3ccc(Cl)cn3)CC2)noc1C.
What is the InChIKey of [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone?
The InChIKey is DDSHOEZGVYIZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O3/c1-11-13(10-23-2)15(19-24-11)16(22)21-7-5-20(6-8-21)14-4-3-12(17)9-18-14/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone?
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone has a molecular weight of 350.81 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 70708295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).