1-[2-methoxyethyl-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol

C28H37N3O4 — CID 46153514

IUPAC1-[2-methoxyethyl-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
SMILESCOCCN(Cc1c(-c2ccccc2)noc1N1CCCCC1)CC(O)COc1ccccc1C
InChIInChI=1S/C28H37N3O4/c1-22-11-7-8-14-26(22)34-21-24(32)19-30(17-18-33-2)20-25-27(23-12-5-3-6-13-23)29-35-28(25)31-15-9-4-10-16-31/h3,5-8,11-14,24,32H,4,9-10,15-21H2,1-2H3
InChIKeyMXQKVOHRIJOVCN-UHFFFAOYSA-N
MW479.62 g/mol
LogP4.53
Rot. Bonds12

About 1-[2-methoxyethyl-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol

1-[2-methoxyethyl-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol (PubChem CID 46153514) has the molecular formula C28H37N3O4 and a molecular weight of 479.62 g/mol. Its IUPAC name is 1-[2-methoxyethyl-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[2-methoxyethyl-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
PubChem CID46153514
Molecular FormulaC28H37N3O4
Molecular Weight479.62 g/mol
Exact Mass479.28
IUPAC Name1-[2-methoxyethyl-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
SMILESCOCCN(Cc1c(-c2ccccc2)noc1N1CCCCC1)CC(O)COc1ccccc1C
InChIInChI=1S/C28H37N3O4/c1-22-11-7-8-14-26(22)34-21-24(32)19-30(17-18-33-2)20-25-27(23-12-5-3-6-13-23)29-35-28(25)31-15-9-4-10-16-31/h3,5-8,11-14,24,32H,4,9-10,15-21H2,1-2H3
InChIKeyMXQKVOHRIJOVCN-UHFFFAOYSA-N
XLogP4.53
TPSA71.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.62
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-1-[cyclopropylmethyl-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 93222514
(2R)-1-[2-methoxyethyl-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 93222463
(2R)-1-(4-methoxyphenoxy)-3-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl-propylamino]propan-2-ol
CID 93208040
(2R)-1-[2-methylpropyl-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]amino]-3-phenoxypropan-2-ol
CID 93179948
1-[2-methoxyethyl-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 42842255
1-(furan-2-ylmethoxy)-3-[2-methoxyethyl-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]amino]propan-2-ol
CID 46023942
(2S)-1-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl-propylamino]-3-(2-methylphenoxy)propan-2-ol
CID 93206970
1-[3-methoxypropyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]-3-prop-2-enoxypropan-2-ol
CID 46015055
[3-[[5-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenyl-1,2-oxazol-4-yl]methyl-(2-methoxyethyl)amino]-2-hydroxypropyl] butanoate
CID 42841544
1-[(4-fluorophenyl)methyl-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 42843766
1-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl-propylamino]-3-propan-2-yloxypropan-2-ol
CID 46023906
(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

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxyethyl-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol?
The IUPAC name of 1-[2-methoxyethyl-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol (CID 46153514) is 1-[2-methoxyethyl-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[2-methoxyethyl-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-[2-methoxyethyl-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol is COCCN(Cc1c(-c2ccccc2)noc1N1CCCCC1)CC(O)COc1ccccc1C.
What is the InChIKey of 1-[2-methoxyethyl-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol?
The InChIKey is MXQKVOHRIJOVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O4/c1-22-11-7-8-14-26(22)34-21-24(32)19-30(17-18-33-2)20-25-27(23-12-5-3-6-13-23)29-35-28(25)31-15-9-4-10-16-31/h3,5-8,11-14,24,32H,4,9-10,15-21H2,1-2H3.
What are the key properties of 1-[2-methoxyethyl-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol?
1-[2-methoxyethyl-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol has a molecular weight of 479.62 g/mol, XLogP of 4.53, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxyethyl-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol is sourced from PubChem (CID 46153514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).