6-[3-(diethylamino)-1,2-oxazol-5-yl]-3-methoxy-2-[(4-methylpiperazin-1-yl)methyl]phenol

C20H30N4O3 — CID 135543680

IUPAC6-[3-(diethylamino)-1,2-oxazol-5-yl]-3-methoxy-2-[(4-methylpiperazin-1-yl)methyl]phenol
SMILESCCN(CC)c1cc(-c2ccc(OC)c(CN3CCN(C)CC3)c2O)on1
InChIInChI=1S/C20H30N4O3/c1-5-24(6-2)19-13-18(27-21-19)15-7-8-17(26-4)16(20(15)25)14-23-11-9-22(3)10-12-23/h7-8,13,25H,5-6,9-12,14H2,1-4H3
InChIKeyOIQMXDGNBVKDTC-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.65
Rot. Bonds7

About 6-[3-(diethylamino)-1,2-oxazol-5-yl]-3-methoxy-2-[(4-methylpiperazin-1-yl)methyl]phenol

6-[3-(diethylamino)-1,2-oxazol-5-yl]-3-methoxy-2-[(4-methylpiperazin-1-yl)methyl]phenol (PubChem CID 135543680) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 6-[3-(diethylamino)-1,2-oxazol-5-yl]-3-methoxy-2-[(4-methylpiperazin-1-yl)methyl]phenol.

Molecular Properties

Compound Name6-[3-(diethylamino)-1,2-oxazol-5-yl]-3-methoxy-2-[(4-methylpiperazin-1-yl)methyl]phenol
PubChem CID135543680
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name6-[3-(diethylamino)-1,2-oxazol-5-yl]-3-methoxy-2-[(4-methylpiperazin-1-yl)methyl]phenol
SMILESCCN(CC)c1cc(-c2ccc(OC)c(CN3CCN(C)CC3)c2O)on1
InChIInChI=1S/C20H30N4O3/c1-5-24(6-2)19-13-18(27-21-19)15-7-8-17(26-4)16(20(15)25)14-23-11-9-22(3)10-12-23/h7-8,13,25H,5-6,9-12,14H2,1-4H3
InChIKeyOIQMXDGNBVKDTC-UHFFFAOYSA-N
XLogP2.65
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(diethylamino)-1,2-oxazol-5-yl]-3-methoxy-2-[(4-methylpiperazin-1-yl)methyl]phenol?
The IUPAC name of 6-[3-(diethylamino)-1,2-oxazol-5-yl]-3-methoxy-2-[(4-methylpiperazin-1-yl)methyl]phenol (CID 135543680) is 6-[3-(diethylamino)-1,2-oxazol-5-yl]-3-methoxy-2-[(4-methylpiperazin-1-yl)methyl]phenol.
What is the SMILES notation for 6-[3-(diethylamino)-1,2-oxazol-5-yl]-3-methoxy-2-[(4-methylpiperazin-1-yl)methyl]phenol?
The canonical SMILES for 6-[3-(diethylamino)-1,2-oxazol-5-yl]-3-methoxy-2-[(4-methylpiperazin-1-yl)methyl]phenol is CCN(CC)c1cc(-c2ccc(OC)c(CN3CCN(C)CC3)c2O)on1.
What is the InChIKey of 6-[3-(diethylamino)-1,2-oxazol-5-yl]-3-methoxy-2-[(4-methylpiperazin-1-yl)methyl]phenol?
The InChIKey is OIQMXDGNBVKDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-5-24(6-2)19-13-18(27-21-19)15-7-8-17(26-4)16(20(15)25)14-23-11-9-22(3)10-12-23/h7-8,13,25H,5-6,9-12,14H2,1-4H3.
What are the key properties of 6-[3-(diethylamino)-1,2-oxazol-5-yl]-3-methoxy-2-[(4-methylpiperazin-1-yl)methyl]phenol?
6-[3-(diethylamino)-1,2-oxazol-5-yl]-3-methoxy-2-[(4-methylpiperazin-1-yl)methyl]phenol has a molecular weight of 374.49 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(diethylamino)-1,2-oxazol-5-yl]-3-methoxy-2-[(4-methylpiperazin-1-yl)methyl]phenol is sourced from PubChem (CID 135543680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).