1-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl-propylamino]-3-propan-2-yloxypropan-2-ol

C25H39N3O3 — CID 46023906

IUPAC1-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl-propylamino]-3-propan-2-yloxypropan-2-ol
SMILESCCCN(Cc1c(-c2ccccc2)noc1N1CCC(C)CC1)CC(O)COC(C)C
InChIInChI=1S/C25H39N3O3/c1-5-13-27(16-22(29)18-30-19(2)3)17-23-24(21-9-7-6-8-10-21)26-31-25(23)28-14-11-20(4)12-15-28/h6-10,19-20,22,29H,5,11-18H2,1-4H3
InChIKeyJADAQHNZOKBNSU-UHFFFAOYSA-N
MW429.61 g/mol
LogP4.58
Rot. Bonds11

About 1-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl-propylamino]-3-propan-2-yloxypropan-2-ol

1-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl-propylamino]-3-propan-2-yloxypropan-2-ol (PubChem CID 46023906) has the molecular formula C25H39N3O3 and a molecular weight of 429.61 g/mol. Its IUPAC name is 1-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl-propylamino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl-propylamino]-3-propan-2-yloxypropan-2-ol
PubChem CID46023906
Molecular FormulaC25H39N3O3
Molecular Weight429.61 g/mol
Exact Mass429.30
IUPAC Name1-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl-propylamino]-3-propan-2-yloxypropan-2-ol
SMILESCCCN(Cc1c(-c2ccccc2)noc1N1CCC(C)CC1)CC(O)COC(C)C
InChIInChI=1S/C25H39N3O3/c1-5-13-27(16-22(29)18-30-19(2)3)17-23-24(21-9-7-6-8-10-21)26-31-25(23)28-14-11-20(4)12-15-28/h6-10,19-20,22,29H,5,11-18H2,1-4H3
InChIKeyJADAQHNZOKBNSU-UHFFFAOYSA-N
XLogP4.58
TPSA61.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.61
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl-propylamino]-3-propan-2-yloxypropan-2-ol with MolForge

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Related Compounds

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-[cyclopropylmethyl-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 46028409
(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-[(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-[(2-methylpropan-2-yl)oxy]-3-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl-propylamino]propan-2-ol
CID 42842286
(2R)-1-(4-methoxyphenoxy)-3-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl-propylamino]propan-2-ol
CID 93208040
1-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl-propylamino]hex-5-en-2-ol
CID 42843871
(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
N-butan-2-yl-2-methyl-N-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]propanamide
CID 24718188
(2R)-1-[2-methylpropyl-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]amino]-3-phenoxypropan-2-ol
CID 93179948
(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

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl-propylamino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl-propylamino]-3-propan-2-yloxypropan-2-ol (CID 46023906) is 1-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl-propylamino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl-propylamino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl-propylamino]-3-propan-2-yloxypropan-2-ol is CCCN(Cc1c(-c2ccccc2)noc1N1CCC(C)CC1)CC(O)COC(C)C.
What is the InChIKey of 1-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl-propylamino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is JADAQHNZOKBNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N3O3/c1-5-13-27(16-22(29)18-30-19(2)3)17-23-24(21-9-7-6-8-10-21)26-31-25(23)28-14-11-20(4)12-15-28/h6-10,19-20,22,29H,5,11-18H2,1-4H3.
What are the key properties of 1-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl-propylamino]-3-propan-2-yloxypropan-2-ol?
1-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl-propylamino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 429.61 g/mol, XLogP of 4.58, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl-propylamino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 46023906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).