5-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-3-pyridin-4-yl-1,2-oxazole

C18H18ClN5O — CID 91839693

IUPAC5-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-3-pyridin-4-yl-1,2-oxazole
SMILESClc1cccnc1N1CCN(Cc2cc(-c3ccncc3)no2)CC1
InChIInChI=1S/C18H18ClN5O/c19-16-2-1-5-21-18(16)24-10-8-23(9-11-24)13-15-12-17(22-25-15)14-3-6-20-7-4-14/h1-7,12H,8-11,13H2
InChIKeyIOOGCROFMSRLGG-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.11
Rot. Bonds4

About 5-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-3-pyridin-4-yl-1,2-oxazole

5-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-3-pyridin-4-yl-1,2-oxazole (PubChem CID 91839693) has the molecular formula C18H18ClN5O and a molecular weight of 355.83 g/mol. Its IUPAC name is 5-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-3-pyridin-4-yl-1,2-oxazole.

Molecular Properties

Compound Name5-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-3-pyridin-4-yl-1,2-oxazole
PubChem CID91839693
Molecular FormulaC18H18ClN5O
Molecular Weight355.83 g/mol
Exact Mass355.12
IUPAC Name5-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-3-pyridin-4-yl-1,2-oxazole
SMILESClc1cccnc1N1CCN(Cc2cc(-c3ccncc3)no2)CC1
InChIInChI=1S/C18H18ClN5O/c19-16-2-1-5-21-18(16)24-10-8-23(9-11-24)13-15-12-17(22-25-15)14-3-6-20-7-4-14/h1-7,12H,8-11,13H2
InChIKeyIOOGCROFMSRLGG-UHFFFAOYSA-N
XLogP3.11
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-3-pyridin-4-yl-1,2-oxazole
CID 91844297
3-(4-methylphenyl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole
CID 36921264
2-[4-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 91839218
5-(azocan-1-ylmethyl)-3-(4-methylphenyl)-1,2-oxazole
CID 55648727
3-(4-chlorophenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole
CID 94700421
5-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-3-(2-methoxyphenyl)-1,2-oxazole
CID 24585672
4-(hydroxymethyl)-1-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperidin-4-ol
CID 56752239
2-(pyridin-2-ylmethyl)-7-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 176506183
3-phenyl-5-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,2-oxazole
CID 99959800
2-[4-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 134018590
(3R,4S)-3-benzyl-3-(hydroxymethyl)-1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]piperidin-4-ol
CID 134714638
[1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]-thiophen-2-ylmethanone
CID 135119352

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-3-pyridin-4-yl-1,2-oxazole?
The IUPAC name of 5-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-3-pyridin-4-yl-1,2-oxazole (CID 91839693) is 5-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-3-pyridin-4-yl-1,2-oxazole.
What is the SMILES notation for 5-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-3-pyridin-4-yl-1,2-oxazole?
The canonical SMILES for 5-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-3-pyridin-4-yl-1,2-oxazole is Clc1cccnc1N1CCN(Cc2cc(-c3ccncc3)no2)CC1.
What is the InChIKey of 5-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-3-pyridin-4-yl-1,2-oxazole?
The InChIKey is IOOGCROFMSRLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O/c19-16-2-1-5-21-18(16)24-10-8-23(9-11-24)13-15-12-17(22-25-15)14-3-6-20-7-4-14/h1-7,12H,8-11,13H2.
What are the key properties of 5-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-3-pyridin-4-yl-1,2-oxazole?
5-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-3-pyridin-4-yl-1,2-oxazole has a molecular weight of 355.83 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-3-pyridin-4-yl-1,2-oxazole is sourced from PubChem (CID 91839693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).