1-[furan-2-ylmethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol

C26H34N4O5 — CID 42842250

IUPAC1-[furan-2-ylmethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
SMILESOC(CN1CCOCC1)CN(Cc1ccco1)Cc1c(-c2ccccc2)noc1N1CCOCC1
InChIInChI=1S/C26H34N4O5/c31-22(17-28-8-13-32-14-9-28)18-29(19-23-7-4-12-34-23)20-24-25(21-5-2-1-3-6-21)27-35-26(24)30-10-15-33-16-11-30/h1-7,12,22,31H,8-11,13-20H2
InChIKeyAAZCWRVPPRUKDK-UHFFFAOYSA-N
MW482.58 g/mol
LogP2.47
Rot. Bonds10

About 1-[furan-2-ylmethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol

1-[furan-2-ylmethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol (PubChem CID 42842250) has the molecular formula C26H34N4O5 and a molecular weight of 482.58 g/mol. Its IUPAC name is 1-[furan-2-ylmethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[furan-2-ylmethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
PubChem CID42842250
Molecular FormulaC26H34N4O5
Molecular Weight482.58 g/mol
Exact Mass482.25
IUPAC Name1-[furan-2-ylmethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
SMILESOC(CN1CCOCC1)CN(Cc1ccco1)Cc1c(-c2ccccc2)noc1N1CCOCC1
InChIInChI=1S/C26H34N4O5/c31-22(17-28-8-13-32-14-9-28)18-29(19-23-7-4-12-34-23)20-24-25(21-5-2-1-3-6-21)27-35-26(24)30-10-15-33-16-11-30/h1-7,12,22,31H,8-11,13-20H2
InChIKeyAAZCWRVPPRUKDK-UHFFFAOYSA-N
XLogP2.47
TPSA87.58 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

1-[furan-2-ylmethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]butan-2-ol
CID 42842247
(2R)-1-(furan-2-ylmethoxy)-3-[furan-2-ylmethyl-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]amino]propan-2-ol
CID 93182163
(2S)-1-[furan-2-ylmethyl-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 93182158
1-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl-(oxolan-2-ylmethyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 46028235
1-[2-morpholin-4-ylethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]hex-5-en-2-ol
CID 46023857
(2R)-1-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-morpholin-4-ylpropan-2-ol
CID 93207954
(2R)-1-ethoxy-3-[2-morpholin-4-ylethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]propan-2-ol
CID 93207991
(2S)-1-ethoxy-3-[2-morpholin-4-ylethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]propan-2-ol
CID 93207992
(2S)-1-[2-morpholin-4-ylethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]-3-prop-2-enoxypropan-2-ol
CID 93207990
N-benzyl-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]furan-2-carboxamide
CID 46150971
1-[2-morpholin-4-ylethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]-3-prop-2-ynoxypropan-2-ol
CID 42842237
N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide
CID 46023504

Frequently Asked Questions

What is the IUPAC name of 1-[furan-2-ylmethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[furan-2-ylmethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol (CID 42842250) is 1-[furan-2-ylmethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[furan-2-ylmethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[furan-2-ylmethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol is OC(CN1CCOCC1)CN(Cc1ccco1)Cc1c(-c2ccccc2)noc1N1CCOCC1.
What is the InChIKey of 1-[furan-2-ylmethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is AAZCWRVPPRUKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O5/c31-22(17-28-8-13-32-14-9-28)18-29(19-23-7-4-12-34-23)20-24-25(21-5-2-1-3-6-21)27-35-26(24)30-10-15-33-16-11-30/h1-7,12,22,31H,8-11,13-20H2.
What are the key properties of 1-[furan-2-ylmethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol?
1-[furan-2-ylmethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 482.58 g/mol, XLogP of 2.47, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[furan-2-ylmethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 42842250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).