[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone

C23H21N3O4 — CID 131899516

IUPAC[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone
SMILESCOc1ccc(-c2ccc(C(=O)N3CCN(c4nc5ccccc5o4)CC3)o2)cc1
InChIInChI=1S/C23H21N3O4/c1-28-17-8-6-16(7-9-17)19-10-11-21(29-19)22(27)25-12-14-26(15-13-25)23-24-18-4-2-3-5-20(18)30-23/h2-11H,12-15H2,1H3
InChIKeyIHSADWWJZPUXDV-UHFFFAOYSA-N
MW403.44 g/mol
LogP4.06
Rot. Bonds4

About [4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone

[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone (PubChem CID 131899516) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is [4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone.

Molecular Properties

Compound Name[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone
PubChem CID131899516
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC Name[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone
SMILESCOc1ccc(-c2ccc(C(=O)N3CCN(c4nc5ccccc5o4)CC3)o2)cc1
InChIInChI=1S/C23H21N3O4/c1-28-17-8-6-16(7-9-17)19-10-11-21(29-19)22(27)25-12-14-26(15-13-25)23-24-18-4-2-3-5-20(18)30-23/h2-11H,12-15H2,1H3
InChIKeyIHSADWWJZPUXDV-UHFFFAOYSA-N
XLogP4.06
TPSA71.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(4-methoxyphenyl)furan-2-yl]-pyrrolidin-1-ylmethanone
CID 53015377
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-benzoxazole
CID 51179578
(4-methylpiperazin-1-yl)-[5-(4-phenoxyphenyl)furan-2-yl]methanone
CID 44585644
[5-(4-methoxyphenyl)furan-2-yl]-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]methanone
CID 131933568
(4-methylpiperazin-1-yl)-(5-phenylfuran-2-yl)methanone;hydrochloride
CID 163329487
[4-(5-amino-1,3-benzoxazol-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 155535929
3-[4-(1,3-benzoxazol-2-yl)-1,4-diazepane-1-carbonyl]-1-methylpyridin-2-one
CID 138379830
[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 24632142
2,2-dimethylpropyl 4-(1,3-benzoxazol-2-yl)piperazine-1-carboxylate
CID 11992420
(2-amino-5-methyl-1H-imidazol-4-yl)-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]methanone
CID 166613008
[4-(1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
CID 138384993
[4-(1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl]-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
CID 163311949

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone?
The IUPAC name of [4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone (CID 131899516) is [4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone.
What is the SMILES notation for [4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone?
The canonical SMILES for [4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone is COc1ccc(-c2ccc(C(=O)N3CCN(c4nc5ccccc5o4)CC3)o2)cc1.
What is the InChIKey of [4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone?
The InChIKey is IHSADWWJZPUXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-28-17-8-6-16(7-9-17)19-10-11-21(29-19)22(27)25-12-14-26(15-13-25)23-24-18-4-2-3-5-20(18)30-23/h2-11H,12-15H2,1H3.
What are the key properties of [4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone?
[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone has a molecular weight of 403.44 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone is sourced from PubChem (CID 131899516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).