4-[[5-[4-[(2S)-3-methyl-2-[5-(pyridin-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]methyl]morpholine

C30H34N4O3 — CID 66773756

IUPAC4-[[5-[4-[(2S)-3-methyl-2-[5-(pyridin-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]methyl]morpholine
SMILESCC(C)[C@@](C)(c1ccc(-c2cc(CN3CCOCC3)no2)cc1)c1ccc(OCc2ccccn2)cn1
InChIInChI=1S/C30H34N4O3/c1-22(2)30(3,29-12-11-27(19-32-29)36-21-25-6-4-5-13-31-25)24-9-7-23(8-10-24)28-18-26(33-37-28)20-34-14-16-35-17-15-34/h4-13,18-19,22H,14-17,20-21H2,1-3H3/t30-/m0/s1
InChIKeyNZEBTOKKQYUTKS-PMERELPUSA-N
MW498.63 g/mol
LogP5.50
Rot. Bonds9

About 4-[[5-[4-[(2S)-3-methyl-2-[5-(pyridin-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]methyl]morpholine

4-[[5-[4-[(2S)-3-methyl-2-[5-(pyridin-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]methyl]morpholine (PubChem CID 66773756) has the molecular formula C30H34N4O3 and a molecular weight of 498.63 g/mol. Its IUPAC name is 4-[[5-[4-[(2S)-3-methyl-2-[5-(pyridin-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-[4-[(2S)-3-methyl-2-[5-(pyridin-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]methyl]morpholine
PubChem CID66773756
Molecular FormulaC30H34N4O3
Molecular Weight498.63 g/mol
Exact Mass498.26
IUPAC Name4-[[5-[4-[(2S)-3-methyl-2-[5-(pyridin-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]methyl]morpholine
SMILESCC(C)[C@@](C)(c1ccc(-c2cc(CN3CCOCC3)no2)cc1)c1ccc(OCc2ccccn2)cn1
InChIInChI=1S/C30H34N4O3/c1-22(2)30(3,29-12-11-27(19-32-29)36-21-25-6-4-5-13-31-25)24-9-7-23(8-10-24)28-18-26(33-37-28)20-34-14-16-35-17-15-34/h4-13,18-19,22H,14-17,20-21H2,1-3H3/t30-/m0/s1
InChIKeyNZEBTOKKQYUTKS-PMERELPUSA-N
XLogP5.50
TPSA73.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.63
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[[5-[4-[(2S)-3-methyl-2-[5-(pyridin-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]methyl]morpholine 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 4-[[5-[4-[(2S)-3-methyl-2-[5-(pyridin-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]methyl]morpholine?
The IUPAC name of 4-[[5-[4-[(2S)-3-methyl-2-[5-(pyridin-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]methyl]morpholine (CID 66773756) is 4-[[5-[4-[(2S)-3-methyl-2-[5-(pyridin-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[5-[4-[(2S)-3-methyl-2-[5-(pyridin-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[5-[4-[(2S)-3-methyl-2-[5-(pyridin-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]methyl]morpholine is CC(C)[C@@](C)(c1ccc(-c2cc(CN3CCOCC3)no2)cc1)c1ccc(OCc2ccccn2)cn1.
What is the InChIKey of 4-[[5-[4-[(2S)-3-methyl-2-[5-(pyridin-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]methyl]morpholine?
The InChIKey is NZEBTOKKQYUTKS-PMERELPUSA-N. The full InChI is InChI=1S/C30H34N4O3/c1-22(2)30(3,29-12-11-27(19-32-29)36-21-25-6-4-5-13-31-25)24-9-7-23(8-10-24)28-18-26(33-37-28)20-34-14-16-35-17-15-34/h4-13,18-19,22H,14-17,20-21H2,1-3H3/t30-/m0/s1.
What are the key properties of 4-[[5-[4-[(2S)-3-methyl-2-[5-(pyridin-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]methyl]morpholine?
4-[[5-[4-[(2S)-3-methyl-2-[5-(pyridin-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]methyl]morpholine has a molecular weight of 498.63 g/mol, XLogP of 5.50, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[4-[(2S)-3-methyl-2-[5-(pyridin-2-ylmethoxy)-2-pyridinyl]butan-2-yl]phenyl]-1,2-oxazol-3-yl]methyl]morpholine is sourced from PubChem (CID 66773756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).