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

C24H37N3O4 — CID 93222463

IUPAC(2R)-1-[2-methoxyethyl-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol
SMILESCOCCN(Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@@H](O)COC(C)C
InChIInChI=1S/C24H37N3O4/c1-19(2)30-18-21(28)16-26(14-15-29-3)17-22-23(20-10-6-4-7-11-20)25-31-24(22)27-12-8-5-9-13-27/h4,6-7,10-11,19,21,28H,5,8-9,12-18H2,1-3H3/t21-/m1/s1
InChIKeyJRLBPCQTHLFODS-OAQYLSRUSA-N
MW431.58 g/mol
LogP3.57
Rot. Bonds12

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

(2R)-1-[2-methoxyethyl-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol (PubChem CID 93222463) has the molecular formula C24H37N3O4 and a molecular weight of 431.58 g/mol. Its IUPAC name is (2R)-1-[2-methoxyethyl-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[2-methoxyethyl-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol
PubChem CID93222463
Molecular FormulaC24H37N3O4
Molecular Weight431.58 g/mol
Exact Mass431.28
IUPAC Name(2R)-1-[2-methoxyethyl-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol
SMILESCOCCN(Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@@H](O)COC(C)C
InChIInChI=1S/C24H37N3O4/c1-19(2)30-18-21(28)16-26(14-15-29-3)17-22-23(20-10-6-4-7-11-20)25-31-24(22)27-12-8-5-9-13-27/h4,6-7,10-11,19,21,28H,5,8-9,12-18H2,1-3H3/t21-/m1/s1
InChIKeyJRLBPCQTHLFODS-OAQYLSRUSA-N
XLogP3.57
TPSA71.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

1-[2-methoxyethyl-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 46153514
1-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl-propylamino]-3-propan-2-yloxypropan-2-ol
CID 46023906
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
(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-[cyclopropylmethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 46028409
(2R)-1-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 129423468
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
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-[(2-methylpropan-2-yl)oxy]-3-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl-propylamino]propan-2-ol
CID 42842286

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-methoxyethyl-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of (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) is (2R)-1-[2-methoxyethyl-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for (2R)-1-[2-methoxyethyl-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for (2R)-1-[2-methoxyethyl-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol is COCCN(Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@@H](O)COC(C)C.
What is the InChIKey of (2R)-1-[2-methoxyethyl-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is JRLBPCQTHLFODS-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H37N3O4/c1-19(2)30-18-21(28)16-26(14-15-29-3)17-22-23(20-10-6-4-7-11-20)25-31-24(22)27-12-8-5-9-13-27/h4,6-7,10-11,19,21,28H,5,8-9,12-18H2,1-3H3/t21-/m1/s1.
What are the key properties of (2R)-1-[2-methoxyethyl-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol?
(2R)-1-[2-methoxyethyl-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 431.58 g/mol, XLogP of 3.57, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-methoxyethyl-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 93222463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).