3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(3R)-5-oxo-1-[(1R,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]propanamide

C26H27N3O3 — CID 95782404

IUPAC3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(3R)-5-oxo-1-[(1R,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]propanamide
SMILESCc1ccc(-c2cnc(CCC(=O)N[C@@H]3CC(=O)N([C@@H]4C[C@@H]4c4ccccc4)C3)o2)cc1
InChIInChI=1S/C26H27N3O3/c1-17-7-9-19(10-8-17)23-15-27-25(32-23)12-11-24(30)28-20-13-26(31)29(16-20)22-14-21(22)18-5-3-2-4-6-18/h2-10,15,20-22H,11-14,16H2,1H3,(H,28,30)/t20-,21-,22-/m1/s1
InChIKeyLNIRKGOQIGTSCS-YPAWHYETSA-N
MW429.52 g/mol
LogP3.86
Rot. Bonds7

About 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(3R)-5-oxo-1-[(1R,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]propanamide

3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(3R)-5-oxo-1-[(1R,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]propanamide (PubChem CID 95782404) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(3R)-5-oxo-1-[(1R,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(3R)-5-oxo-1-[(1R,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]propanamide
PubChem CID95782404
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(3R)-5-oxo-1-[(1R,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]propanamide
SMILESCc1ccc(-c2cnc(CCC(=O)N[C@@H]3CC(=O)N([C@@H]4C[C@@H]4c4ccccc4)C3)o2)cc1
InChIInChI=1S/C26H27N3O3/c1-17-7-9-19(10-8-17)23-15-27-25(32-23)12-11-24(30)28-20-13-26(31)29(16-20)22-14-21(22)18-5-3-2-4-6-18/h2-10,15,20-22H,11-14,16H2,1H3,(H,28,30)/t20-,21-,22-/m1/s1
InChIKeyLNIRKGOQIGTSCS-YPAWHYETSA-N
XLogP3.86
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxycyclohexyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 110882855
N-(1-methylpiperidin-4-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 30901827
N-(4-methylcyclohexyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 18136349
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one;dihydrochloride
CID 120748803
N-(2,3-dihydro-1H-inden-1-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 24598370
N-[2-(cyclopropylamino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 18163915
N-[(3R)-1-benzylpyrrolidin-3-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 30824088
N-(2-methylcyclohexyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 24640348
N-(1,1-dioxothiolan-3-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 18137647
N-(1-benzylpyrrolidin-3-yl)-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide
CID 24633125
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(1-phenylcyclobutyl)methyl]propanamide
CID 24598429
N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51311777

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(3R)-5-oxo-1-[(1R,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]propanamide?
The IUPAC name of 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(3R)-5-oxo-1-[(1R,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]propanamide (CID 95782404) is 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(3R)-5-oxo-1-[(1R,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]propanamide.
What is the SMILES notation for 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(3R)-5-oxo-1-[(1R,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]propanamide?
The canonical SMILES for 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(3R)-5-oxo-1-[(1R,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]propanamide is Cc1ccc(-c2cnc(CCC(=O)N[C@@H]3CC(=O)N([C@@H]4C[C@@H]4c4ccccc4)C3)o2)cc1.
What is the InChIKey of 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(3R)-5-oxo-1-[(1R,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]propanamide?
The InChIKey is LNIRKGOQIGTSCS-YPAWHYETSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-17-7-9-19(10-8-17)23-15-27-25(32-23)12-11-24(30)28-20-13-26(31)29(16-20)22-14-21(22)18-5-3-2-4-6-18/h2-10,15,20-22H,11-14,16H2,1H3,(H,28,30)/t20-,21-,22-/m1/s1.
What are the key properties of 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(3R)-5-oxo-1-[(1R,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]propanamide?
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(3R)-5-oxo-1-[(1R,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]propanamide has a molecular weight of 429.52 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(3R)-5-oxo-1-[(1R,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 95782404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).