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

C26H36N4O5 — CID 42842237

IUPAC1-[2-morpholin-4-ylethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]-3-prop-2-ynoxypropan-2-ol
SMILESC#CCOCC(O)CN(CCN1CCOCC1)Cc1c(-c2ccccc2)noc1N1CCOCC1
InChIInChI=1S/C26H36N4O5/c1-2-14-34-21-23(31)19-29(9-8-28-10-15-32-16-11-28)20-24-25(22-6-4-3-5-7-22)27-35-26(24)30-12-17-33-18-13-30/h1,3-7,23,31H,8-21H2
InChIKeyNFSXUQWTBRLOEL-UHFFFAOYSA-N
MW484.60 g/mol
LogP1.32
Rot. Bonds12

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

1-[2-morpholin-4-ylethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]-3-prop-2-ynoxypropan-2-ol (PubChem CID 42842237) has the molecular formula C26H36N4O5 and a molecular weight of 484.60 g/mol. Its IUPAC name is 1-[2-morpholin-4-ylethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]-3-prop-2-ynoxypropan-2-ol.

Molecular Properties

Compound Name1-[2-morpholin-4-ylethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]-3-prop-2-ynoxypropan-2-ol
PubChem CID42842237
Molecular FormulaC26H36N4O5
Molecular Weight484.60 g/mol
Exact Mass484.27
IUPAC Name1-[2-morpholin-4-ylethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]-3-prop-2-ynoxypropan-2-ol
SMILESC#CCOCC(O)CN(CCN1CCOCC1)Cc1c(-c2ccccc2)noc1N1CCOCC1
InChIInChI=1S/C26H36N4O5/c1-2-14-34-21-23(31)19-29(9-8-28-10-15-32-16-11-28)20-24-25(22-6-4-3-5-7-22)27-35-26(24)30-12-17-33-18-13-30/h1,3-7,23,31H,8-21H2
InChIKeyNFSXUQWTBRLOEL-UHFFFAOYSA-N
XLogP1.32
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1-[2-morpholin-4-ylethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]-3-prop-2-ynoxypropan-2-ol with MolForge

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Related Compounds

(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
1-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl-(2-morpholin-4-ylethyl)amino]-3-prop-2-ynoxypropan-2-ol
CID 46018997
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
1-[3-methoxypropyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]-3-prop-2-enoxypropan-2-ol
CID 46015055
(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
(2R)-1-(2-methylpropoxy)-3-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]propan-2-ol
CID 93208013
1-[[5-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenyl-1,2-oxazol-4-yl]methyl-propan-2-ylamino]-3-prop-2-ynoxypropan-2-ol
CID 42842268
1-[cyclopropylmethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 46028409
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
1-[3-methylbutyl-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]amino]-3-prop-2-ynoxypropan-2-ol
CID 46023923

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]-3-prop-2-ynoxypropan-2-ol?
The IUPAC name of 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) is 1-[2-morpholin-4-ylethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]-3-prop-2-ynoxypropan-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]-3-prop-2-ynoxypropan-2-ol?
The canonical SMILES for 1-[2-morpholin-4-ylethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]-3-prop-2-ynoxypropan-2-ol is C#CCOCC(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]-3-prop-2-ynoxypropan-2-ol?
The InChIKey is NFSXUQWTBRLOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O5/c1-2-14-34-21-23(31)19-29(9-8-28-10-15-32-16-11-28)20-24-25(22-6-4-3-5-7-22)27-35-26(24)30-12-17-33-18-13-30/h1,3-7,23,31H,8-21H2.
What are the key properties of 1-[2-morpholin-4-ylethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]-3-prop-2-ynoxypropan-2-ol?
1-[2-morpholin-4-ylethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]-3-prop-2-ynoxypropan-2-ol has a molecular weight of 484.60 g/mol, XLogP of 1.32, 12 rotatable bonds, 1 hydrogen bond donors, and 9 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]-3-prop-2-ynoxypropan-2-ol is sourced from PubChem (CID 42842237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).