[3-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C21H24N4O3 — CID 118758750

IUPAC[3-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCOc1cccc(CC2=NOC(C(=O)N3CCN(c4ccccn4)CC3)C2)c1
InChIInChI=1S/C21H24N4O3/c1-27-18-6-4-5-16(14-18)13-17-15-19(28-23-17)21(26)25-11-9-24(10-12-25)20-7-2-3-8-22-20/h2-8,14,19H,9-13,15H2,1H3
InChIKeyYCEZYZXXCDRVLJ-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.13
Rot. Bonds5

About [3-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[3-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 118758750) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is [3-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID118758750
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name[3-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCOc1cccc(CC2=NOC(C(=O)N3CCN(c4ccccn4)CC3)C2)c1
InChIInChI=1S/C21H24N4O3/c1-27-18-6-4-5-16(14-18)13-17-15-19(28-23-17)21(26)25-11-9-24(10-12-25)20-7-2-3-8-22-20/h2-8,14,19H,9-13,15H2,1H3
InChIKeyYCEZYZXXCDRVLJ-UHFFFAOYSA-N
XLogP2.13
TPSA67.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(4-fluorophenyl)sulfanylpiperidin-1-yl]-[3-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 45179390
[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-[(5R)-3-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 25327682
N-(3-methoxyphenyl)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 108950907
3-(3-methoxyphenyl)-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]propanamide
CID 53161575
3-[(3-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 45176393
(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 45222468
[(5R)-3-benzyl-4,5-dihydro-1,2-oxazol-5-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 26325624
[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 75283620
[(5R)-3-[(3-chlorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[(3S)-3-methoxypiperidin-1-yl]methanone
CID 26356640
N-[(E)-2-(3-methoxyphenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108905995
[4-(furan-2-carbonyl)piperazin-1-yl]-[(5R)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 40503680
N-(3-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 5014292

Frequently Asked Questions

What is the IUPAC name of [3-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [3-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 118758750) is [3-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [3-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is COc1cccc(CC2=NOC(C(=O)N3CCN(c4ccccn4)CC3)C2)c1.
What is the InChIKey of [3-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is YCEZYZXXCDRVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-27-18-6-4-5-16(14-18)13-17-15-19(28-23-17)21(26)25-11-9-24(10-12-25)20-7-2-3-8-22-20/h2-8,14,19H,9-13,15H2,1H3.
What are the key properties of [3-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[3-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 380.45 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 118758750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).