[3-(methoxymethyl)pyrrolidin-1-yl]-[2-(2-phenylethyl)-1,3-benzoxazol-5-yl]methanone

C22H24N2O3 — CID 45226885

IUPAC[3-(methoxymethyl)pyrrolidin-1-yl]-[2-(2-phenylethyl)-1,3-benzoxazol-5-yl]methanone
SMILESCOCC1CCN(C(=O)c2ccc3oc(CCc4ccccc4)nc3c2)C1
InChIInChI=1S/C22H24N2O3/c1-26-15-17-11-12-24(14-17)22(25)18-8-9-20-19(13-18)23-21(27-20)10-7-16-5-3-2-4-6-16/h2-6,8-9,13,17H,7,10-12,14-15H2,1H3
InChIKeySRFJKSVOUQMURK-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.72
Rot. Bonds6

About [3-(methoxymethyl)pyrrolidin-1-yl]-[2-(2-phenylethyl)-1,3-benzoxazol-5-yl]methanone

[3-(methoxymethyl)pyrrolidin-1-yl]-[2-(2-phenylethyl)-1,3-benzoxazol-5-yl]methanone (PubChem CID 45226885) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is [3-(methoxymethyl)pyrrolidin-1-yl]-[2-(2-phenylethyl)-1,3-benzoxazol-5-yl]methanone.

Molecular Properties

Compound Name[3-(methoxymethyl)pyrrolidin-1-yl]-[2-(2-phenylethyl)-1,3-benzoxazol-5-yl]methanone
PubChem CID45226885
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name[3-(methoxymethyl)pyrrolidin-1-yl]-[2-(2-phenylethyl)-1,3-benzoxazol-5-yl]methanone
SMILESCOCC1CCN(C(=O)c2ccc3oc(CCc4ccccc4)nc3c2)C1
InChIInChI=1S/C22H24N2O3/c1-26-15-17-11-12-24(14-17)22(25)18-8-9-20-19(13-18)23-21(27-20)10-7-16-5-3-2-4-6-16/h2-6,8-9,13,17H,7,10-12,14-15H2,1H3
InChIKeySRFJKSVOUQMURK-UHFFFAOYSA-N
XLogP3.72
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-(methoxymethyl)pyrrolidin-1-yl]-[2-(2-phenylethyl)-1,3-benzoxazol-5-yl]methanone with MolForge

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Related Compounds

[(3S)-3-(3-hydroxypropyl)piperidin-1-yl]-[2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]methanone
CID 42245869
N-methyl-2-(2-phenylethyl)-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1,3-benzoxazole-5-carboxamide
CID 25459084
(2-benzyl-1,3-benzoxazol-5-yl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 45224420
[2-(2-phenylethyl)-1,3-benzoxazol-5-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 42096651
[(2S)-2-(hydroxymethyl)piperidin-1-yl]-[2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]methanone
CID 25380800
(2-butyl-1,3-benzoxazol-5-yl)-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone
CID 42157398
methyl 1-(2-benzyl-1,3-benzoxazole-5-carbonyl)piperidine-2-carboxylate
CID 24816683
(4-amino-3-iodophenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 112750869
6-[(3R)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
CID 99974461
2-[1-[2-(4-methylphenyl)-1,3-benzoxazole-5-carbonyl]piperidin-4-yl]-N-(3-phenylpropyl)acetamide
CID 53103530
(4-bromo-3-methylphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 112705975
(2-fluoro-4-pyridinyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64570308

Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethyl)pyrrolidin-1-yl]-[2-(2-phenylethyl)-1,3-benzoxazol-5-yl]methanone?
The IUPAC name of [3-(methoxymethyl)pyrrolidin-1-yl]-[2-(2-phenylethyl)-1,3-benzoxazol-5-yl]methanone (CID 45226885) is [3-(methoxymethyl)pyrrolidin-1-yl]-[2-(2-phenylethyl)-1,3-benzoxazol-5-yl]methanone.
What is the SMILES notation for [3-(methoxymethyl)pyrrolidin-1-yl]-[2-(2-phenylethyl)-1,3-benzoxazol-5-yl]methanone?
The canonical SMILES for [3-(methoxymethyl)pyrrolidin-1-yl]-[2-(2-phenylethyl)-1,3-benzoxazol-5-yl]methanone is COCC1CCN(C(=O)c2ccc3oc(CCc4ccccc4)nc3c2)C1.
What is the InChIKey of [3-(methoxymethyl)pyrrolidin-1-yl]-[2-(2-phenylethyl)-1,3-benzoxazol-5-yl]methanone?
The InChIKey is SRFJKSVOUQMURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-26-15-17-11-12-24(14-17)22(25)18-8-9-20-19(13-18)23-21(27-20)10-7-16-5-3-2-4-6-16/h2-6,8-9,13,17H,7,10-12,14-15H2,1H3.
What are the key properties of [3-(methoxymethyl)pyrrolidin-1-yl]-[2-(2-phenylethyl)-1,3-benzoxazol-5-yl]methanone?
[3-(methoxymethyl)pyrrolidin-1-yl]-[2-(2-phenylethyl)-1,3-benzoxazol-5-yl]methanone has a molecular weight of 364.45 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethyl)pyrrolidin-1-yl]-[2-(2-phenylethyl)-1,3-benzoxazol-5-yl]methanone is sourced from PubChem (CID 45226885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).