3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)propanamide

C21H23N3O2 — CID 108784772

IUPAC3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(C)c1ccc(-c2cnc(CCC(=O)NCc3cccnc3)o2)cc1
InChIInChI=1S/C21H23N3O2/c1-15(2)17-5-7-18(8-6-17)19-14-24-21(26-19)10-9-20(25)23-13-16-4-3-11-22-12-16/h3-8,11-12,14-15H,9-10,13H2,1-2H3,(H,23,25)
InChIKeyMPVKCUUZEQCTNA-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.11
Rot. Bonds7

About 3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)propanamide

3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 108784772) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)propanamide
PubChem CID108784772
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(C)c1ccc(-c2cnc(CCC(=O)NCc3cccnc3)o2)cc1
InChIInChI=1S/C21H23N3O2/c1-15(2)17-5-7-18(8-6-17)19-14-24-21(26-19)10-9-20(25)23-13-16-4-3-11-22-12-16/h3-8,11-12,14-15H,9-10,13H2,1-2H3,(H,23,25)
InChIKeyMPVKCUUZEQCTNA-UHFFFAOYSA-N
XLogP4.11
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784781
N-[(4-chlorophenyl)methyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784775
3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-prop-2-enylpropanamide
CID 108784863
N-(2-methoxyethyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784762
N-(1-phenylethyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784776
N-[3-(dimethylamino)propyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784851
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 119525269
N-[(3-chlorophenyl)methyl]-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16591216
N-(6-methyl-2-pyridinyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108798165
N-[(3-bromophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 55576627
N-(oxolan-2-ylmethyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784774
3-(5-phenyl-1,3-oxazol-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 134021509

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)propanamide (CID 108784772) is 3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)propanamide is CC(C)c1ccc(-c2cnc(CCC(=O)NCc3cccnc3)o2)cc1.
What is the InChIKey of 3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is MPVKCUUZEQCTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15(2)17-5-7-18(8-6-17)19-14-24-21(26-19)10-9-20(25)23-13-16-4-3-11-22-12-16/h3-8,11-12,14-15H,9-10,13H2,1-2H3,(H,23,25).
What are the key properties of 3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)propanamide?
3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 349.43 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 108784772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).