N-[(3S)-1-benzylpyrrolidin-3-yl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide

C24H27N3O3 — CID 9268823

IUPACN-[(3S)-1-benzylpyrrolidin-3-yl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
SMILESCc1noc(C)c1COc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1
InChIInChI=1S/C24H27N3O3/c1-17-23(18(2)30-26-17)16-29-22-10-8-20(9-11-22)24(28)25-21-12-13-27(15-21)14-19-6-4-3-5-7-19/h3-11,21H,12-16H2,1-2H3,(H,25,28)/t21-/m0/s1
InChIKeyOSMLZOTVJGXJJO-NRFANRHFSA-N
MW405.50 g/mol
LogP3.87
Rot. Bonds7

About N-[(3S)-1-benzylpyrrolidin-3-yl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide

N-[(3S)-1-benzylpyrrolidin-3-yl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide (PubChem CID 9268823) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[(3S)-1-benzylpyrrolidin-3-yl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[(3S)-1-benzylpyrrolidin-3-yl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
PubChem CID9268823
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-[(3S)-1-benzylpyrrolidin-3-yl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
SMILESCc1noc(C)c1COc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1
InChIInChI=1S/C24H27N3O3/c1-17-23(18(2)30-26-17)16-29-22-10-8-20(9-11-22)24(28)25-21-12-13-27(15-21)14-19-6-4-3-5-7-19/h3-11,21H,12-16H2,1-2H3,(H,25,28)/t21-/m0/s1
InChIKeyOSMLZOTVJGXJJO-NRFANRHFSA-N
XLogP3.87
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 55859103
4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-N-phenylpiperidine-1-carboxamide
CID 46700471
N-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-4-fluorobenzamide
CID 99740337
N-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-3,5-dimethoxybenzamide
CID 98042058
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 30855376
N-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide
CID 17176526
N-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]furan-3-carboxamide
CID 98042037
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-propylsulfonylpiperidin-4-yl)benzamide
CID 46456125
4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
CID 21330045
N-cyclopropyl-2-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]benzamide
CID 8023741
N-(1-benzylpiperidin-4-yl)-4-(2-methoxyethoxy)benzamide
CID 17176539
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-phenylacetamide
CID 75461556

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-benzylpyrrolidin-3-yl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The IUPAC name of N-[(3S)-1-benzylpyrrolidin-3-yl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide (CID 9268823) is N-[(3S)-1-benzylpyrrolidin-3-yl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide.
What is the SMILES notation for N-[(3S)-1-benzylpyrrolidin-3-yl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The canonical SMILES for N-[(3S)-1-benzylpyrrolidin-3-yl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide is Cc1noc(C)c1COc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1.
What is the InChIKey of N-[(3S)-1-benzylpyrrolidin-3-yl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The InChIKey is OSMLZOTVJGXJJO-NRFANRHFSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-17-23(18(2)30-26-17)16-29-22-10-8-20(9-11-22)24(28)25-21-12-13-27(15-21)14-19-6-4-3-5-7-19/h3-11,21H,12-16H2,1-2H3,(H,25,28)/t21-/m0/s1.
What are the key properties of N-[(3S)-1-benzylpyrrolidin-3-yl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
N-[(3S)-1-benzylpyrrolidin-3-yl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide has a molecular weight of 405.50 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-benzylpyrrolidin-3-yl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 9268823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).