2-(3-methoxyphenyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,3-benzoxazole-6-carboxamide

C22H25N3O3 — CID 26324000

IUPAC2-(3-methoxyphenyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,3-benzoxazole-6-carboxamide
SMILESCOc1cccc(-c2nc3ccc(C(=O)NCC[C@H]4CCCN4C)cc3o2)c1
InChIInChI=1S/C22H25N3O3/c1-25-12-4-6-17(25)10-11-23-21(26)15-8-9-19-20(14-15)28-22(24-19)16-5-3-7-18(13-16)27-2/h3,5,7-9,13-14,17H,4,6,10-12H2,1-2H3,(H,23,26)/t17-/m1/s1
InChIKeyJGXNIENFCRNSMS-QGZVFWFLSA-N
MW379.46 g/mol
LogP3.72
Rot. Bonds6

About 2-(3-methoxyphenyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,3-benzoxazole-6-carboxamide

2-(3-methoxyphenyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,3-benzoxazole-6-carboxamide (PubChem CID 26324000) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,3-benzoxazole-6-carboxamide
PubChem CID26324000
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name2-(3-methoxyphenyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,3-benzoxazole-6-carboxamide
SMILESCOc1cccc(-c2nc3ccc(C(=O)NCC[C@H]4CCCN4C)cc3o2)c1
InChIInChI=1S/C22H25N3O3/c1-25-12-4-6-17(25)10-11-23-21(26)15-8-9-19-20(14-15)28-22(24-19)16-5-3-7-18(13-16)27-2/h3,5,7-9,13-14,17H,4,6,10-12H2,1-2H3,(H,23,26)/t17-/m1/s1
InChIKeyJGXNIENFCRNSMS-QGZVFWFLSA-N
XLogP3.72
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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[(3R)-3-hydroxypiperidin-1-yl]-[2-(3-methoxyphenyl)-1,3-benzoxazol-6-yl]methanone
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2-(3-methoxyphenyl)-N-(2H-tetrazol-5-ylmethyl)-1,3-benzoxazole-6-carboxamide
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CID 110867653
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2-(3-methoxyphenyl)-N-[(S)-phenyl(pyridin-4-yl)methyl]-1,3-benzoxazole-6-carboxamide
CID 42519585
2-(3-methoxyphenyl)-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,3-benzoxazole-6-carboxamide
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N-[3-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)propyl]-2-phenyl-1,3-benzoxazole-6-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,3-benzoxazole-6-carboxamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,3-benzoxazole-6-carboxamide (CID 26324000) is 2-(3-methoxyphenyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,3-benzoxazole-6-carboxamide is COc1cccc(-c2nc3ccc(C(=O)NCC[C@H]4CCCN4C)cc3o2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,3-benzoxazole-6-carboxamide?
The InChIKey is JGXNIENFCRNSMS-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-25-12-4-6-17(25)10-11-23-21(26)15-8-9-19-20(14-15)28-22(24-19)16-5-3-7-18(13-16)27-2/h3,5,7-9,13-14,17H,4,6,10-12H2,1-2H3,(H,23,26)/t17-/m1/s1.
What are the key properties of 2-(3-methoxyphenyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,3-benzoxazole-6-carboxamide?
2-(3-methoxyphenyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,3-benzoxazole-6-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 26324000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).