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

C19H18ClN3O4 — CID 3158125

IUPAC[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(C(=O)C2CC(c3ccc(Cl)cc3)=NO2)CC1
InChIInChI=1S/C19H18ClN3O4/c20-14-5-3-13(4-6-14)15-12-17(27-21-15)19(25)23-9-7-22(8-10-23)18(24)16-2-1-11-26-16/h1-6,11,17H,7-10,12H2
InChIKeyCPDNDAKQZSQQSK-UHFFFAOYSA-N
MW387.82 g/mol
LogP2.41
Rot. Bonds3

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

[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 3158125) has the molecular formula C19H18ClN3O4 and a molecular weight of 387.82 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
PubChem CID3158125
Molecular FormulaC19H18ClN3O4
Molecular Weight387.82 g/mol
Exact Mass387.10
IUPAC Name[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(C(=O)C2CC(c3ccc(Cl)cc3)=NO2)CC1
InChIInChI=1S/C19H18ClN3O4/c20-14-5-3-13(4-6-14)15-12-17(27-21-15)19(25)23-9-7-22(8-10-23)18(24)16-2-1-11-26-16/h1-6,11,17H,7-10,12H2
InChIKeyCPDNDAKQZSQQSK-UHFFFAOYSA-N
XLogP2.41
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[2-[4-(Furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2335760
2-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-(2-furylmethyl)-N-methylacetamide
CID 4293941
N-[2-(4-chlorophenyl)-1-(1-piperidinylcarbonyl)vinyl]-2-furamide
CID 5766751
N-[2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 5908036
1-(Furan-2-carbonyl)-piperidine-4-carboxylic acid 4-chloro-benzylamide
CID 6463437
1-(4-Chlorobenzoyl)-4-(2-furoyl)piperazine
CID 792960
[3-(4-Fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl][4-(furan-2-ylcarbonyl)piperazin-1-yl]methanone
CID 5309098
(3-(4-chlorophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)(furan-2-yl)methanone
CID 3248551
N-[(4-chlorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide
CID 164851916
3-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 2962203
3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3158108
1-[4-(Furan-2-carbonyl)-piperazin-1-yl]-2-phenyl-ethanone
CID 776731

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of [3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone (CID 3158125) is [3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for [3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone is O=C(c1ccco1)N1CCN(C(=O)C2CC(c3ccc(Cl)cc3)=NO2)CC1.
What is the InChIKey of [3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is CPDNDAKQZSQQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O4/c20-14-5-3-13(4-6-14)15-12-17(27-21-15)19(25)23-9-7-22(8-10-23)18(24)16-2-1-11-26-16/h1-6,11,17H,7-10,12H2.
What are the key properties of [3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?
[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 387.82 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 3158125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).