[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone

C21H22N4O3 — CID 2738705

IUPAC[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
SMILESCOc1ccc(-c2ocnc2C(=O)N2CCN(Cc3cccnc3)CC2)cc1
InChIInChI=1S/C21H22N4O3/c1-27-18-6-4-17(5-7-18)20-19(23-15-28-20)21(26)25-11-9-24(10-12-25)14-16-3-2-8-22-13-16/h2-8,13,15H,9-12,14H2,1H3
InChIKeyAUVALQYGTFSNGG-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.70
Rot. Bonds5

About [5-(4-methoxyphenyl)-1,3-oxazol-4-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone

[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone (PubChem CID 2738705) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is [5-(4-methoxyphenyl)-1,3-oxazol-4-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
PubChem CID2738705
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
SMILESCOc1ccc(-c2ocnc2C(=O)N2CCN(Cc3cccnc3)CC2)cc1
InChIInChI=1S/C21H22N4O3/c1-27-18-6-4-17(5-7-18)20-19(23-15-28-20)21(26)25-11-9-24(10-12-25)14-16-3-2-8-22-13-16/h2-8,13,15H,9-12,14H2,1H3
InChIKeyAUVALQYGTFSNGG-UHFFFAOYSA-N
XLogP2.70
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [5-(4-methoxyphenyl)-1,3-oxazol-4-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(2,6-dimethoxyphenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 1112890
[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 55629311
methyl 4-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]benzoate
CID 19572760
1-[(3-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine;oxalic acid
CID 17367073
2-methoxy-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 46684654
3-(3,5-dimethoxyphenyl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 134033185
furan-2-yl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 648203
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 55490748
2-(2-methoxyphenoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 110709120
(4-chloro-5-methyl-1H-pyrazol-3-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 119063045
1-[9-[(4-methoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-pyridin-3-ylethanone
CID 97370728
(4-methoxyphenyl)-[4-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 78848111

Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxyphenyl)-1,3-oxazol-4-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [5-(4-methoxyphenyl)-1,3-oxazol-4-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone (CID 2738705) is [5-(4-methoxyphenyl)-1,3-oxazol-4-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-(4-methoxyphenyl)-1,3-oxazol-4-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [5-(4-methoxyphenyl)-1,3-oxazol-4-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone is COc1ccc(-c2ocnc2C(=O)N2CCN(Cc3cccnc3)CC2)cc1.
What is the InChIKey of [5-(4-methoxyphenyl)-1,3-oxazol-4-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is AUVALQYGTFSNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-27-18-6-4-17(5-7-18)20-19(23-15-28-20)21(26)25-11-9-24(10-12-25)14-16-3-2-8-22-13-16/h2-8,13,15H,9-12,14H2,1H3.
What are the key properties of [5-(4-methoxyphenyl)-1,3-oxazol-4-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone?
[5-(4-methoxyphenyl)-1,3-oxazol-4-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 378.43 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxyphenyl)-1,3-oxazol-4-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 2738705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).