[4-(furan-2-carbonyl)piperazin-1-yl]-[(5R)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone

C20H21N3O5 — CID 40503680

IUPAC[4-(furan-2-carbonyl)piperazin-1-yl]-[(5R)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
SMILESCOc1cccc(C2=NO[C@@H](C(=O)N3CCN(C(=O)c4ccco4)CC3)C2)c1
InChIInChI=1S/C20H21N3O5/c1-26-15-5-2-4-14(12-15)16-13-18(28-21-16)20(25)23-9-7-22(8-10-23)19(24)17-6-3-11-27-17/h2-6,11-12,18H,7-10,13H2,1H3/t18-/m1/s1
InChIKeyFCZQTSBBZLFFPO-GOSISDBHSA-N
MW383.40 g/mol
LogP1.77
Rot. Bonds4

About [4-(furan-2-carbonyl)piperazin-1-yl]-[(5R)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone

[4-(furan-2-carbonyl)piperazin-1-yl]-[(5R)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone (PubChem CID 40503680) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is [4-(furan-2-carbonyl)piperazin-1-yl]-[(5R)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone.

Molecular Properties

Compound Name[4-(furan-2-carbonyl)piperazin-1-yl]-[(5R)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
PubChem CID40503680
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC Name[4-(furan-2-carbonyl)piperazin-1-yl]-[(5R)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
SMILESCOc1cccc(C2=NO[C@@H](C(=O)N3CCN(C(=O)c4ccco4)CC3)C2)c1
InChIInChI=1S/C20H21N3O5/c1-26-15-5-2-4-14(12-15)16-13-18(28-21-16)20(25)23-9-7-22(8-10-23)19(24)17-6-3-11-27-17/h2-6,11-12,18H,7-10,13H2,1H3/t18-/m1/s1
InChIKeyFCZQTSBBZLFFPO-GOSISDBHSA-N
XLogP1.77
TPSA84.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(5R)-3-(3-bromophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 1093680
[(5S)-3-(3-bromophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 1093681
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 3244043
[(2R,6R)-2,6-dimethylpiperidin-1-yl]-[(5S)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 51409179
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 38910909
(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
4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-[4-(3-methoxyphenyl)phenyl]pyrrolidin-2-one
CID 166629549
furan-2-yl-[4-[5-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methanone
CID 126474822
furan-2-yl-[4-[2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone
CID 44968166
(2-fluoro-4-methoxyphenyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 38910645
furan-2-yl-[(3S)-5-(3-methoxyphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 41300687

Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-carbonyl)piperazin-1-yl]-[(5R)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone?
The IUPAC name of [4-(furan-2-carbonyl)piperazin-1-yl]-[(5R)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone (CID 40503680) is [4-(furan-2-carbonyl)piperazin-1-yl]-[(5R)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone.
What is the SMILES notation for [4-(furan-2-carbonyl)piperazin-1-yl]-[(5R)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone?
The canonical SMILES for [4-(furan-2-carbonyl)piperazin-1-yl]-[(5R)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone is COc1cccc(C2=NO[C@@H](C(=O)N3CCN(C(=O)c4ccco4)CC3)C2)c1.
What is the InChIKey of [4-(furan-2-carbonyl)piperazin-1-yl]-[(5R)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone?
The InChIKey is FCZQTSBBZLFFPO-GOSISDBHSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-26-15-5-2-4-14(12-15)16-13-18(28-21-16)20(25)23-9-7-22(8-10-23)19(24)17-6-3-11-27-17/h2-6,11-12,18H,7-10,13H2,1H3/t18-/m1/s1.
What are the key properties of [4-(furan-2-carbonyl)piperazin-1-yl]-[(5R)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone?
[4-(furan-2-carbonyl)piperazin-1-yl]-[(5R)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone has a molecular weight of 383.40 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-carbonyl)piperazin-1-yl]-[(5R)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone is sourced from PubChem (CID 40503680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).