N-(1-benzylpyrrolidin-3-yl)-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide

C27H33N3O2 — CID 24633125

IUPACN-(1-benzylpyrrolidin-3-yl)-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide
SMILESCC(C)Cc1ccc(-c2cnc(CCC(=O)NC3CCN(Cc4ccccc4)C3)o2)cc1
InChIInChI=1S/C27H33N3O2/c1-20(2)16-21-8-10-23(11-9-21)25-17-28-27(32-25)13-12-26(31)29-24-14-15-30(19-24)18-22-6-4-3-5-7-22/h3-11,17,20,24H,12-16,18-19H2,1-2H3,(H,29,31)
InChIKeyFRZVWPNHBYLCTL-UHFFFAOYSA-N
MW431.58 g/mol
LogP4.86
Rot. Bonds9

About N-(1-benzylpyrrolidin-3-yl)-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide

N-(1-benzylpyrrolidin-3-yl)-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide (PubChem CID 24633125) has the molecular formula C27H33N3O2 and a molecular weight of 431.58 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide
PubChem CID24633125
Molecular FormulaC27H33N3O2
Molecular Weight431.58 g/mol
Exact Mass431.26
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide
SMILESCC(C)Cc1ccc(-c2cnc(CCC(=O)NC3CCN(Cc4ccccc4)C3)o2)cc1
InChIInChI=1S/C27H33N3O2/c1-20(2)16-21-8-10-23(11-9-21)25-17-28-27(32-25)13-12-26(31)29-24-14-15-30(19-24)18-22-6-4-3-5-7-22/h3-11,17,20,24H,12-16,18-19H2,1-2H3,(H,29,31)
InChIKeyFRZVWPNHBYLCTL-UHFFFAOYSA-N
XLogP4.86
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-benzylpyrrolidin-3-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 30824088
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CID 30901827
N-(1-benzylpiperidin-3-yl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 55645096
N-[(3R)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-3-pyridin-3-ylpropanamide
CID 42517014
N-(1-benzylpyrrolidin-3-yl)-3-(5-phenylfuran-2-yl)propanamide
CID 18156265
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 30531633
N-(4-methylcyclohexyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 18136349
3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]-N-(1-pyridin-2-ylethyl)propanamide
CID 24645551
N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide
CID 42958724
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-phenylbutanamide
CID 51947538
N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 60569130
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(1-methylsulfonylpiperidin-4-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide (CID 24633125) is N-(1-benzylpyrrolidin-3-yl)-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide is CC(C)Cc1ccc(-c2cnc(CCC(=O)NC3CCN(Cc4ccccc4)C3)o2)cc1.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide?
The InChIKey is FRZVWPNHBYLCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O2/c1-20(2)16-21-8-10-23(11-9-21)25-17-28-27(32-25)13-12-26(31)29-24-14-15-30(19-24)18-22-6-4-3-5-7-22/h3-11,17,20,24H,12-16,18-19H2,1-2H3,(H,29,31).
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide?
N-(1-benzylpyrrolidin-3-yl)-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide has a molecular weight of 431.58 g/mol, XLogP of 4.86, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 24633125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).