4-[1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-methylpropan-2-yl]morpholine

C17H29N3O2 — CID 95216226

IUPAC4-[1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-methylpropan-2-yl]morpholine
SMILESCc1noc(C)c1[C@@H]1CCCN1CC(C)(C)N1CCOCC1
InChIInChI=1S/C17H29N3O2/c1-13-16(14(2)22-18-13)15-6-5-7-19(15)12-17(3,4)20-8-10-21-11-9-20/h15H,5-12H2,1-4H3/t15-/m0/s1
InChIKeyWCYCEONRJXXYCU-HNNXBMFYSA-N
MW307.44 g/mol
LogP2.54
Rot. Bonds4

About 4-[1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-methylpropan-2-yl]morpholine

4-[1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-methylpropan-2-yl]morpholine (PubChem CID 95216226) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 4-[1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-methylpropan-2-yl]morpholine.

Molecular Properties

Compound Name4-[1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-methylpropan-2-yl]morpholine
PubChem CID95216226
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name4-[1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-methylpropan-2-yl]morpholine
SMILESCc1noc(C)c1[C@@H]1CCCN1CC(C)(C)N1CCOCC1
InChIInChI=1S/C17H29N3O2/c1-13-16(14(2)22-18-13)15-6-5-7-19(15)12-17(3,4)20-8-10-21-11-9-20/h15H,5-12H2,1-4H3/t15-/m0/s1
InChIKeyWCYCEONRJXXYCU-HNNXBMFYSA-N
XLogP2.54
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]morpholine
CID 74231053
4-(1-benzylpyrrolidin-2-yl)-3,5-dimethyl-1,2-oxazole
CID 53009622
3,5-dimethyl-4-[(2S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 92502967
4-[1-[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropan-2-yl]morpholine
CID 77083642
4-[(2S)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
CID 95127074
3,5-dimethyl-4-[(2S)-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole
CID 95124993
4-[(2S)-1-[(2,5-dimethylphenyl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
CID 92732091
4-[(2S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
CID 92732569
3,5-dimethyl-4-[(2R)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole
CID 99931192
N-benzyl-5-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]pyrimidin-2-amine
CID 77080114
3,5-dimethyl-4-(1-methylsulfonylpyrrolidin-2-yl)-1,2-oxazole
CID 53009594
4-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
CID 92732438

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-methylpropan-2-yl]morpholine?
The IUPAC name of 4-[1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-methylpropan-2-yl]morpholine (CID 95216226) is 4-[1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-methylpropan-2-yl]morpholine.
What is the SMILES notation for 4-[1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-methylpropan-2-yl]morpholine?
The canonical SMILES for 4-[1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-methylpropan-2-yl]morpholine is Cc1noc(C)c1[C@@H]1CCCN1CC(C)(C)N1CCOCC1.
What is the InChIKey of 4-[1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-methylpropan-2-yl]morpholine?
The InChIKey is WCYCEONRJXXYCU-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-13-16(14(2)22-18-13)15-6-5-7-19(15)12-17(3,4)20-8-10-21-11-9-20/h15H,5-12H2,1-4H3/t15-/m0/s1.
What are the key properties of 4-[1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-methylpropan-2-yl]morpholine?
4-[1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-methylpropan-2-yl]morpholine has a molecular weight of 307.44 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-methylpropan-2-yl]morpholine is sourced from PubChem (CID 95216226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).