8-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide

C25H28N4O3 — CID 22551108

IUPAC8-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
SMILESCc1ccc2c(c1)-c1onc(C(=O)NCCCN3CCN(c4ccccc4)CC3)c1CO2
InChIInChI=1S/C25H28N4O3/c1-18-8-9-22-20(16-18)24-21(17-31-22)23(27-32-24)25(30)26-10-5-11-28-12-14-29(15-13-28)19-6-3-2-4-7-19/h2-4,6-9,16H,5,10-15,17H2,1H3,(H,26,30)
InChIKeyDPVXKAORHGEFBZ-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.48
Rot. Bonds6

About 8-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide

8-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide (PubChem CID 22551108) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 8-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide.

Molecular Properties

Compound Name8-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
PubChem CID22551108
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name8-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
SMILESCc1ccc2c(c1)-c1onc(C(=O)NCCCN3CCN(c4ccccc4)CC3)c1CO2
InChIInChI=1S/C25H28N4O3/c1-18-8-9-22-20(16-18)24-21(17-31-22)23(27-32-24)25(30)26-10-5-11-28-12-14-29(15-13-28)19-6-3-2-4-7-19/h2-4,6-9,16H,5,10-15,17H2,1H3,(H,26,30)
InChIKeyDPVXKAORHGEFBZ-UHFFFAOYSA-N
XLogP3.48
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-methyl-N-(3-morpholin-4-ylpropyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 46273647
(8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 22551047
N-[3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propyl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 92864183
N-[3-(4-methylpiperidin-1-yl)propyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 46271769
N-[3-(4-phenylpiperazin-1-yl)propyl]-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 22516787
2,5-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224502
(4-benzylpiperazin-1-yl)-(8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)methanone
CID 22551053
3,5-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide
CID 55860989
3-(2-chlorophenyl)-5-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,2-oxazole-4-carboxamide
CID 42224430
6-methyl-4-oxo-1-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridazine-3-carboxamide
CID 38447789
2-N,2-N,6-trimethyl-5-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-2,5-dicarboxamide
CID 86891495
2,5-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224466

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
The IUPAC name of 8-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide (CID 22551108) is 8-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide.
What is the SMILES notation for 8-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
The canonical SMILES for 8-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide is Cc1ccc2c(c1)-c1onc(C(=O)NCCCN3CCN(c4ccccc4)CC3)c1CO2.
What is the InChIKey of 8-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
The InChIKey is DPVXKAORHGEFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-18-8-9-22-20(16-18)24-21(17-31-22)23(27-32-24)25(30)26-10-5-11-28-12-14-29(15-13-28)19-6-3-2-4-7-19/h2-4,6-9,16H,5,10-15,17H2,1H3,(H,26,30).
What are the key properties of 8-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
8-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide is sourced from PubChem (CID 22551108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).