2-(1,2-benzoxazol-3-yl)-N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]acetamide

C21H23N3O2 — CID 95769578

IUPAC2-(1,2-benzoxazol-3-yl)-N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]acetamide
SMILESO=C(Cc1noc2ccccc12)NC[C@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C21H23N3O2/c25-21(13-19-18-10-4-5-11-20(18)26-23-19)22-14-17-9-6-12-24(17)15-16-7-2-1-3-8-16/h1-5,7-8,10-11,17H,6,9,12-15H2,(H,22,25)/t17-/m1/s1
InChIKeyKMGCBIDNVUPSLZ-QGZVFWFLSA-N
MW349.43 g/mol
LogP3.15
Rot. Bonds6

About 2-(1,2-benzoxazol-3-yl)-N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]acetamide

2-(1,2-benzoxazol-3-yl)-N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]acetamide (PubChem CID 95769578) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]acetamide
PubChem CID95769578
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]acetamide
SMILESO=C(Cc1noc2ccccc12)NC[C@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C21H23N3O2/c25-21(13-19-18-10-4-5-11-20(18)26-23-19)22-14-17-9-6-12-24(17)15-16-7-2-1-3-8-16/h1-5,7-8,10-11,17H,6,9,12-15H2,(H,22,25)/t17-/m1/s1
InChIKeyKMGCBIDNVUPSLZ-QGZVFWFLSA-N
XLogP3.15
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1,2-benzoxazol-3-yl)-N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]acetamide with MolForge

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Related Compounds

3-amino-N-[[1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-2-yl]methyl]propanamide
CID 120580063
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CID 167927460
2-(1,2-benzoxazol-3-yl)-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]acetamide
CID 126930631
3-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]butanamide
CID 119888709
3-[2-(benzylamino)-2-oxoethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 45490962
2-(1,2-benzoxazol-3-yl)-N-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]acetamide
CID 126792782
N-[[(3R)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]methyl]furan-2-carboxamide
CID 97282973
N-[(1-benzylpyrrolidin-2-yl)methyl]-1-hydroxycyclopentane-1-carboxamide
CID 111336713
N-[(1-benzylpiperidin-2-yl)methyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119861781
2-(1,2-benzoxazol-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 46612175
2-(1,2-benzoxazol-3-yl)-N-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]acetamide
CID 56703214
N-[(1-benzylpiperidin-2-yl)methyl]-2-ethylbutanamide
CID 60595063

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]acetamide (CID 95769578) is 2-(1,2-benzoxazol-3-yl)-N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]acetamide is O=C(Cc1noc2ccccc12)NC[C@H]1CCCN1Cc1ccccc1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]acetamide?
The InChIKey is KMGCBIDNVUPSLZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H23N3O2/c25-21(13-19-18-10-4-5-11-20(18)26-23-19)22-14-17-9-6-12-24(17)15-16-7-2-1-3-8-16/h1-5,7-8,10-11,17H,6,9,12-15H2,(H,22,25)/t17-/m1/s1.
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]acetamide?
2-(1,2-benzoxazol-3-yl)-N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]acetamide has a molecular weight of 349.43 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]acetamide is sourced from PubChem (CID 95769578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).