2-[(3R,4S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-1-morpholin-4-ylethanone

C22H35N3O3 — CID 40777345

IUPAC2-[(3R,4S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-1-morpholin-4-ylethanone
SMILESO=C(C[C@@H]1CCNC[C@@H]1Cc1cc(CC2CCCCC2)on1)N1CCOCC1
InChIInChI=1S/C22H35N3O3/c26-22(25-8-10-27-11-9-25)14-18-6-7-23-16-19(18)13-20-15-21(28-24-20)12-17-4-2-1-3-5-17/h15,17-19,23H,1-14,16H2/t18-,19-/m0/s1
InChIKeyGVTRMVUHFLLYIZ-OALUTQOASA-N
MW389.54 g/mol
LogP2.81
Rot. Bonds6

About 2-[(3R,4S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-1-morpholin-4-ylethanone

2-[(3R,4S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-1-morpholin-4-ylethanone (PubChem CID 40777345) has the molecular formula C22H35N3O3 and a molecular weight of 389.54 g/mol. Its IUPAC name is 2-[(3R,4S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(3R,4S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-1-morpholin-4-ylethanone
PubChem CID40777345
Molecular FormulaC22H35N3O3
Molecular Weight389.54 g/mol
Exact Mass389.27
IUPAC Name2-[(3R,4S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-1-morpholin-4-ylethanone
SMILESO=C(C[C@@H]1CCNC[C@@H]1Cc1cc(CC2CCCCC2)on1)N1CCOCC1
InChIInChI=1S/C22H35N3O3/c26-22(25-8-10-27-11-9-25)14-18-6-7-23-16-19(18)13-20-15-21(28-24-20)12-17-4-2-1-3-5-17/h15,17-19,23H,1-14,16H2/t18-,19-/m0/s1
InChIKeyGVTRMVUHFLLYIZ-OALUTQOASA-N
XLogP2.81
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3R,4S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-1-morpholin-4-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(3R,4S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-1-morpholin-4-ylethanone (CID 40777345) is 2-[(3R,4S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(3R,4S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(3R,4S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-1-morpholin-4-ylethanone is O=C(C[C@@H]1CCNC[C@@H]1Cc1cc(CC2CCCCC2)on1)N1CCOCC1.
What is the InChIKey of 2-[(3R,4S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-1-morpholin-4-ylethanone?
The InChIKey is GVTRMVUHFLLYIZ-OALUTQOASA-N. The full InChI is InChI=1S/C22H35N3O3/c26-22(25-8-10-27-11-9-25)14-18-6-7-23-16-19(18)13-20-15-21(28-24-20)12-17-4-2-1-3-5-17/h15,17-19,23H,1-14,16H2/t18-,19-/m0/s1.
What are the key properties of 2-[(3R,4S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-1-morpholin-4-ylethanone?
2-[(3R,4S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-1-morpholin-4-ylethanone has a molecular weight of 389.54 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 40777345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).