N-(furan-2-ylmethyl)-2-[[4-[2-hydroxy-3-(4-methoxyphenoxy)propyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide

C24H30N4O6 — CID 42855781

IUPACN-(furan-2-ylmethyl)-2-[[4-[2-hydroxy-3-(4-methoxyphenoxy)propyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(OCC(O)CN2CCN(Cc3nc(C(=O)NCc4ccco4)co3)CC2)cc1
InChIInChI=1S/C24H30N4O6/c1-31-19-4-6-20(7-5-19)33-16-18(29)14-27-8-10-28(11-9-27)15-23-26-22(17-34-23)24(30)25-13-21-3-2-12-32-21/h2-7,12,17-18,29H,8-11,13-16H2,1H3,(H,25,30)
InChIKeyITSZXTIDSSZQPO-UHFFFAOYSA-N
MW470.53 g/mol
LogP1.76
Rot. Bonds11

About N-(furan-2-ylmethyl)-2-[[4-[2-hydroxy-3-(4-methoxyphenoxy)propyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide

N-(furan-2-ylmethyl)-2-[[4-[2-hydroxy-3-(4-methoxyphenoxy)propyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 42855781) has the molecular formula C24H30N4O6 and a molecular weight of 470.53 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[[4-[2-hydroxy-3-(4-methoxyphenoxy)propyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[[4-[2-hydroxy-3-(4-methoxyphenoxy)propyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
PubChem CID42855781
Molecular FormulaC24H30N4O6
Molecular Weight470.53 g/mol
Exact Mass470.22
IUPAC NameN-(furan-2-ylmethyl)-2-[[4-[2-hydroxy-3-(4-methoxyphenoxy)propyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(OCC(O)CN2CCN(Cc3nc(C(=O)NCc4ccco4)co3)CC2)cc1
InChIInChI=1S/C24H30N4O6/c1-31-19-4-6-20(7-5-19)33-16-18(29)14-27-8-10-28(11-9-27)15-23-26-22(17-34-23)24(30)25-13-21-3-2-12-32-21/h2-7,12,17-18,29H,8-11,13-16H2,1H3,(H,25,30)
InChIKeyITSZXTIDSSZQPO-UHFFFAOYSA-N
XLogP1.76
TPSA113.44 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986210
N-(furan-2-ylmethyl)-2-[[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 46051560
N-benzyl-2-[[4-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986094
2-[[4-(2-hydroxyhexyl)piperazin-1-yl]methyl]-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 46051889
2-[[4-[3-(diethylamino)-2-hydroxypropyl]piperazin-1-yl]methyl]-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 46051890
2-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 42833087
2-[[4-[(2R)-2-hydroxyhex-5-enyl]piperazin-1-yl]methyl]-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 92986813
N-[(4-fluorophenyl)methyl]-2-[[4-(2-hydroxypropyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 46051294
2-[[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 92986125
2-[[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]methyl]-N-(2-methylbutyl)-1,3-oxazole-4-carboxamide
CID 46051304
2-[[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methyl]-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 92986536
2-[[4-[(2R)-2-hydroxy-3-prop-2-ynoxypropyl]piperazin-1-yl]methyl]-N-propyl-1,3-oxazole-4-carboxamide
CID 92986286

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[[4-[2-hydroxy-3-(4-methoxyphenoxy)propyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[[4-[2-hydroxy-3-(4-methoxyphenoxy)propyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide (CID 42855781) is N-(furan-2-ylmethyl)-2-[[4-[2-hydroxy-3-(4-methoxyphenoxy)propyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[[4-[2-hydroxy-3-(4-methoxyphenoxy)propyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[[4-[2-hydroxy-3-(4-methoxyphenoxy)propyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide is COc1ccc(OCC(O)CN2CCN(Cc3nc(C(=O)NCc4ccco4)co3)CC2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[[4-[2-hydroxy-3-(4-methoxyphenoxy)propyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is ITSZXTIDSSZQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O6/c1-31-19-4-6-20(7-5-19)33-16-18(29)14-27-8-10-28(11-9-27)15-23-26-22(17-34-23)24(30)25-13-21-3-2-12-32-21/h2-7,12,17-18,29H,8-11,13-16H2,1H3,(H,25,30).
What are the key properties of N-(furan-2-ylmethyl)-2-[[4-[2-hydroxy-3-(4-methoxyphenoxy)propyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?
N-(furan-2-ylmethyl)-2-[[4-[2-hydroxy-3-(4-methoxyphenoxy)propyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 470.53 g/mol, XLogP of 1.76, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[[4-[2-hydroxy-3-(4-methoxyphenoxy)propyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42855781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).