[4-(furan-2-ylmethyl)piperazin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone

C20H21N3O3 — CID 19572528

IUPAC[4-(furan-2-ylmethyl)piperazin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCN(Cc4ccco4)CC3)no2)cc1
InChIInChI=1S/C20H21N3O3/c1-15-4-6-16(7-5-15)19-13-18(21-26-19)20(24)23-10-8-22(9-11-23)14-17-3-2-12-25-17/h2-7,12-13H,8-11,14H2,1H3
InChIKeyIRCWGYOKKKBZKY-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.20
Rot. Bonds4

About [4-(furan-2-ylmethyl)piperazin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone

[4-(furan-2-ylmethyl)piperazin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone (PubChem CID 19572528) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is [4-(furan-2-ylmethyl)piperazin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name[4-(furan-2-ylmethyl)piperazin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone
PubChem CID19572528
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name[4-(furan-2-ylmethyl)piperazin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCN(Cc4ccco4)CC3)no2)cc1
InChIInChI=1S/C20H21N3O3/c1-15-4-6-16(7-5-15)19-13-18(21-26-19)20(24)23-10-8-22(9-11-23)14-17-3-2-12-25-17/h2-7,12-13H,8-11,14H2,1H3
InChIKeyIRCWGYOKKKBZKY-UHFFFAOYSA-N
XLogP3.20
TPSA62.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(furan-2-ylmethyl)piperazin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone with MolForge

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Related Compounds

[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone;hydrochloride
CID 90483007
[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone
CID 19327679
(4-benzylpiperazin-1-yl)-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methanone
CID 17252730
[5-(4-methylphenyl)-1,2-oxazol-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 1093778
(1-ethylpyrazol-3-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 19279222
(4-chloro-1-methylpyrrol-2-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 56810671
(5-bromofuran-3-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 154835228
[1-[(3,5-dimethylphenoxy)methyl]pyrazol-3-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 19472964
[3-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-1-methylpyrazol-4-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 29097638
[4-(furan-2-ylmethyl)piperazin-1-yl]-quinolin-2-ylmethanone
CID 46547011
[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 19515200
1-(furan-2-ylmethyl)-4-[(4-methylphenyl)methyl]piperazine
CID 772071

Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-ylmethyl)piperazin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone?
The IUPAC name of [4-(furan-2-ylmethyl)piperazin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone (CID 19572528) is [4-(furan-2-ylmethyl)piperazin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for [4-(furan-2-ylmethyl)piperazin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone?
The canonical SMILES for [4-(furan-2-ylmethyl)piperazin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone is Cc1ccc(-c2cc(C(=O)N3CCN(Cc4ccco4)CC3)no2)cc1.
What is the InChIKey of [4-(furan-2-ylmethyl)piperazin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone?
The InChIKey is IRCWGYOKKKBZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-15-4-6-16(7-5-15)19-13-18(21-26-19)20(24)23-10-8-22(9-11-23)14-17-3-2-12-25-17/h2-7,12-13H,8-11,14H2,1H3.
What are the key properties of [4-(furan-2-ylmethyl)piperazin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone?
[4-(furan-2-ylmethyl)piperazin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone has a molecular weight of 351.41 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-ylmethyl)piperazin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 19572528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).