[2-[5-(2-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-(2-methylphenyl)methanone

C26H24N2O3 — CID 46107517

IUPAC[2-[5-(2-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-(2-methylphenyl)methanone
SMILESCOc1ccccc1-c1ccc2oc(C3CCCN3C(=O)c3ccccc3C)nc2c1
InChIInChI=1S/C26H24N2O3/c1-17-8-3-4-9-19(17)26(29)28-15-7-11-22(28)25-27-21-16-18(13-14-24(21)31-25)20-10-5-6-12-23(20)30-2/h3-6,8-10,12-14,16,22H,7,11,15H2,1-2H3
InChIKeyANSWUOZCEFNDJG-UHFFFAOYSA-N
MW412.49 g/mol
LogP5.79
Rot. Bonds4

About [2-[5-(2-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-(2-methylphenyl)methanone

[2-[5-(2-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-(2-methylphenyl)methanone (PubChem CID 46107517) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is [2-[5-(2-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[2-[5-(2-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-(2-methylphenyl)methanone
PubChem CID46107517
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Name[2-[5-(2-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-(2-methylphenyl)methanone
SMILESCOc1ccccc1-c1ccc2oc(C3CCCN3C(=O)c3ccccc3C)nc2c1
InChIInChI=1S/C26H24N2O3/c1-17-8-3-4-9-19(17)26(29)28-15-7-11-22(28)25-27-21-16-18(13-14-24(21)31-25)20-10-5-6-12-23(20)30-2/h3-6,8-10,12-14,16,22H,7,11,15H2,1-2H3
InChIKeyANSWUOZCEFNDJG-UHFFFAOYSA-N
XLogP5.79
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromophenyl)-[(2R)-2-[5-(2-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]methanone
CID 93015842
2-(4-fluorophenyl)-1-[(2S)-2-[5-(2-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]ethanone
CID 93015863
2-(4-fluorophenyl)-1-[(2R)-2-[5-(2-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]ethanone
CID 93015864
N-(3,4-difluorophenyl)-2-[5-(2-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide
CID 42880552
N-(2,4-difluorophenyl)-2-[5-(2-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide
CID 46107741
(2S)-2-[5-(2-fluorophenyl)-1,3-benzoxazol-2-yl]-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide
CID 93016136
N-(4-ethoxyphenyl)-2-[5-(2-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide
CID 46107743
2-[5-(2-methoxyphenyl)-1,3-benzoxazol-2-yl]-N-(4-nitrophenyl)pyrrolidine-1-carboxamide
CID 46107738
(2R)-N-(2-methylphenyl)-2-[5-(2-methylphenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide
CID 93015962
(2-chlorophenyl)-[(2R)-2-[5-(3-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]methanone
CID 93015438
(2R)-N-(2-methoxyphenyl)-2-(5-phenyl-1,3-benzoxazol-2-yl)pyrrolidine-1-carboxamide
CID 93015909
(2S)-2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide
CID 93016082

Frequently Asked Questions

What is the IUPAC name of [2-[5-(2-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-(2-methylphenyl)methanone?
The IUPAC name of [2-[5-(2-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-(2-methylphenyl)methanone (CID 46107517) is [2-[5-(2-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [2-[5-(2-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [2-[5-(2-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-(2-methylphenyl)methanone is COc1ccccc1-c1ccc2oc(C3CCCN3C(=O)c3ccccc3C)nc2c1.
What is the InChIKey of [2-[5-(2-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-(2-methylphenyl)methanone?
The InChIKey is ANSWUOZCEFNDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-17-8-3-4-9-19(17)26(29)28-15-7-11-22(28)25-27-21-16-18(13-14-24(21)31-25)20-10-5-6-12-23(20)30-2/h3-6,8-10,12-14,16,22H,7,11,15H2,1-2H3.
What are the key properties of [2-[5-(2-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-(2-methylphenyl)methanone?
[2-[5-(2-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-(2-methylphenyl)methanone has a molecular weight of 412.49 g/mol, XLogP of 5.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(2-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 46107517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).