(2R)-1-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl-(3-methylbutyl)amino]-3-methoxypropan-2-ol

C23H37N3O3 — CID 93207716

IUPAC(2R)-1-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl-(3-methylbutyl)amino]-3-methoxypropan-2-ol
SMILESCCN(CC)c1onc(-c2ccccc2)c1CN(CCC(C)C)C[C@@H](O)COC
InChIInChI=1S/C23H37N3O3/c1-6-26(7-2)23-21(22(24-29-23)19-11-9-8-10-12-19)16-25(14-13-18(3)4)15-20(27)17-28-5/h8-12,18,20,27H,6-7,13-17H2,1-5H3/t20-/m1/s1
InChIKeyRIEURNYUTOLULU-HXUWFJFHSA-N
MW403.57 g/mol
LogP4.04
Rot. Bonds13

About (2R)-1-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl-(3-methylbutyl)amino]-3-methoxypropan-2-ol

(2R)-1-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl-(3-methylbutyl)amino]-3-methoxypropan-2-ol (PubChem CID 93207716) has the molecular formula C23H37N3O3 and a molecular weight of 403.57 g/mol. Its IUPAC name is (2R)-1-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl-(3-methylbutyl)amino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl-(3-methylbutyl)amino]-3-methoxypropan-2-ol
PubChem CID93207716
Molecular FormulaC23H37N3O3
Molecular Weight403.57 g/mol
Exact Mass403.28
IUPAC Name(2R)-1-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl-(3-methylbutyl)amino]-3-methoxypropan-2-ol
SMILESCCN(CC)c1onc(-c2ccccc2)c1CN(CCC(C)C)C[C@@H](O)COC
InChIInChI=1S/C23H37N3O3/c1-6-26(7-2)23-21(22(24-29-23)19-11-9-8-10-12-19)16-25(14-13-18(3)4)15-20(27)17-28-5/h8-12,18,20,27H,6-7,13-17H2,1-5H3/t20-/m1/s1
InChIKeyRIEURNYUTOLULU-HXUWFJFHSA-N
XLogP4.04
TPSA61.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl-(3-methylbutyl)amino]-3-methoxypropan-2-ol with MolForge

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Related Compounds

[(2S)-3-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl-(3-methylbutyl)amino]-2-hydroxypropyl] butanoate
CID 93207714
(2S)-1-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl-propylamino]-3-(2-methylphenoxy)propan-2-ol
CID 93206970
(2S)-1-[3-methylbutyl-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]amino]-3-prop-2-enoxypropan-2-ol
CID 93208074
1-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 42842124
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
1-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-3-ethyl-1-(3-methylbutyl)thiourea
CID 46023361
(2R)-1-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl-(furan-2-ylmethyl)amino]-3-prop-2-enoxypropan-2-ol
CID 93196312
1-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl-(2-morpholin-4-ylethyl)amino]-3-prop-2-ynoxypropan-2-ol
CID 46018997
(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
4-chloro-N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 46018918
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-[[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

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl-(3-methylbutyl)amino]-3-methoxypropan-2-ol?
The IUPAC name of (2R)-1-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl-(3-methylbutyl)amino]-3-methoxypropan-2-ol (CID 93207716) is (2R)-1-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl-(3-methylbutyl)amino]-3-methoxypropan-2-ol.
What is the SMILES notation for (2R)-1-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl-(3-methylbutyl)amino]-3-methoxypropan-2-ol?
The canonical SMILES for (2R)-1-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl-(3-methylbutyl)amino]-3-methoxypropan-2-ol is CCN(CC)c1onc(-c2ccccc2)c1CN(CCC(C)C)C[C@@H](O)COC.
What is the InChIKey of (2R)-1-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl-(3-methylbutyl)amino]-3-methoxypropan-2-ol?
The InChIKey is RIEURNYUTOLULU-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H37N3O3/c1-6-26(7-2)23-21(22(24-29-23)19-11-9-8-10-12-19)16-25(14-13-18(3)4)15-20(27)17-28-5/h8-12,18,20,27H,6-7,13-17H2,1-5H3/t20-/m1/s1.
What are the key properties of (2R)-1-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl-(3-methylbutyl)amino]-3-methoxypropan-2-ol?
(2R)-1-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl-(3-methylbutyl)amino]-3-methoxypropan-2-ol has a molecular weight of 403.57 g/mol, XLogP of 4.04, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl-(3-methylbutyl)amino]-3-methoxypropan-2-ol is sourced from PubChem (CID 93207716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).