1-[2-morpholin-4-ylethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]hex-5-en-2-ol

C26H38N4O4 — CID 46023857

IUPAC1-[2-morpholin-4-ylethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]hex-5-en-2-ol
SMILESC=CCCC(O)CN(CCN1CCOCC1)Cc1c(-c2ccccc2)noc1N1CCOCC1
InChIInChI=1S/C26H38N4O4/c1-2-3-9-23(31)20-29(11-10-28-12-16-32-17-13-28)21-24-25(22-7-5-4-6-8-22)27-34-26(24)30-14-18-33-19-15-30/h2,4-8,23,31H,1,3,9-21H2
InChIKeyNUGILHWJYANDSU-UHFFFAOYSA-N
MW470.61 g/mol
LogP2.64
Rot. Bonds12

About 1-[2-morpholin-4-ylethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]hex-5-en-2-ol

1-[2-morpholin-4-ylethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]hex-5-en-2-ol (PubChem CID 46023857) has the molecular formula C26H38N4O4 and a molecular weight of 470.61 g/mol. Its IUPAC name is 1-[2-morpholin-4-ylethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]hex-5-en-2-ol.

Molecular Properties

Compound Name1-[2-morpholin-4-ylethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]hex-5-en-2-ol
PubChem CID46023857
Molecular FormulaC26H38N4O4
Molecular Weight470.61 g/mol
Exact Mass470.29
IUPAC Name1-[2-morpholin-4-ylethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]hex-5-en-2-ol
SMILESC=CCCC(O)CN(CCN1CCOCC1)Cc1c(-c2ccccc2)noc1N1CCOCC1
InChIInChI=1S/C26H38N4O4/c1-2-3-9-23(31)20-29(11-10-28-12-16-32-17-13-28)21-24-25(22-7-5-4-6-8-22)27-34-26(24)30-14-18-33-19-15-30/h2,4-8,23,31H,1,3,9-21H2
InChIKeyNUGILHWJYANDSU-UHFFFAOYSA-N
XLogP2.64
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.61
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(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
(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
1-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl-propylamino]hex-5-en-2-ol
CID 42843871
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
1-[3-methoxypropyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]-3-prop-2-enoxypropan-2-ol
CID 46015055
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
(2R)-1-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl-(2-morpholin-4-ylethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 98630730
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-[furan-2-ylmethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]butan-2-ol
CID 42842247
1-[cyclopropylmethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 46028409
4-fluoro-N-(2-morpholin-4-ylethyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
CID 46027755

Frequently Asked Questions

What is the IUPAC name of 1-[2-morpholin-4-ylethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]hex-5-en-2-ol?
The IUPAC name of 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) is 1-[2-morpholin-4-ylethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]hex-5-en-2-ol.
What is the SMILES notation for 1-[2-morpholin-4-ylethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]hex-5-en-2-ol?
The canonical SMILES for 1-[2-morpholin-4-ylethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]hex-5-en-2-ol is C=CCCC(O)CN(CCN1CCOCC1)Cc1c(-c2ccccc2)noc1N1CCOCC1.
What is the InChIKey of 1-[2-morpholin-4-ylethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]hex-5-en-2-ol?
The InChIKey is NUGILHWJYANDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O4/c1-2-3-9-23(31)20-29(11-10-28-12-16-32-17-13-28)21-24-25(22-7-5-4-6-8-22)27-34-26(24)30-14-18-33-19-15-30/h2,4-8,23,31H,1,3,9-21H2.
What are the key properties of 1-[2-morpholin-4-ylethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]hex-5-en-2-ol?
1-[2-morpholin-4-ylethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]hex-5-en-2-ol has a molecular weight of 470.61 g/mol, XLogP of 2.64, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-morpholin-4-ylethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]hex-5-en-2-ol is sourced from PubChem (CID 46023857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).