(7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone

C23H23N3O3 — CID 17253405

IUPAC(7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCOc1ccc2c(c1)CCc1c(C(=O)N3CCN(c4ccccc4)CC3)noc1-2
InChIInChI=1S/C23H23N3O3/c1-28-18-8-10-19-16(15-18)7-9-20-21(24-29-22(19)20)23(27)26-13-11-25(12-14-26)17-5-3-2-4-6-17/h2-6,8,10,15H,7,9,11-14H2,1H3
InChIKeyPVKBQOTVOUSPSP-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.41
Rot. Bonds3

About (7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone

(7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 17253405) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is (7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID17253405
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name(7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCOc1ccc2c(c1)CCc1c(C(=O)N3CCN(c4ccccc4)CC3)noc1-2
InChIInChI=1S/C23H23N3O3/c1-28-18-8-10-19-16(15-18)7-9-20-21(24-29-22(19)20)23(27)26-13-11-25(12-14-26)17-5-3-2-4-6-17/h2-6,8,10,15H,7,9,11-14H2,1H3
InChIKeyPVKBQOTVOUSPSP-UHFFFAOYSA-N
XLogP3.41
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone with MolForge

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Related Compounds

13-methoxy-3-oxa-4-azatricyclo[9.4.0.02,6]pentadeca-1(11),2(6),4,12,14-pentaene-5-carboxylic acid
CID 118514645
7-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
CID 17253421
(8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 22551047
[4-(4-fluorophenyl)piperazin-1-yl]-(7-methoxy-4,5-dihydro-2H-benzo[g]indazol-3-yl)methanone
CID 20954094
7-methoxy-N-pyridin-3-yl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
CID 6621302
(4,5-dimethyl-1,2-oxazol-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 110856418
[4-(4-methoxyphenyl)piperazin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 9265987
12-methoxy-N-[1-methyl-3-oxo-2-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-3-oxa-4-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide
CID 118514612
[4-(4-methoxyphenyl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 17011323
N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
CID 3240737
[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-(1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-3-yl)methanone
CID 55919334
[4-(4-methoxyphenyl)piperazin-1-yl]-(5-methyl-2-phenylpyrazol-3-yl)methanone
CID 10090944

Frequently Asked Questions

What is the IUPAC name of (7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone (CID 17253405) is (7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone is COc1ccc2c(c1)CCc1c(C(=O)N3CCN(c4ccccc4)CC3)noc1-2.
What is the InChIKey of (7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is PVKBQOTVOUSPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-28-18-8-10-19-16(15-18)7-9-20-21(24-29-22(19)20)23(27)26-13-11-25(12-14-26)17-5-3-2-4-6-17/h2-6,8,10,15H,7,9,11-14H2,1H3.
What are the key properties of (7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone?
(7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 389.46 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 17253405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).