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

C20H26N2O3 — CID 108784774

IUPACN-(oxolan-2-ylmethyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
SMILESCC(C)c1ccc(-c2cnc(CCC(=O)NCC3CCCO3)o2)cc1
InChIInChI=1S/C20H26N2O3/c1-14(2)15-5-7-16(8-6-15)18-13-22-20(25-18)10-9-19(23)21-12-17-4-3-11-24-17/h5-8,13-14,17H,3-4,9-12H2,1-2H3,(H,21,23)
InChIKeyPNROQMKPNDRFKF-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.69
Rot. Bonds7

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

N-(oxolan-2-ylmethyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 108784774) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID108784774
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-(oxolan-2-ylmethyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
SMILESCC(C)c1ccc(-c2cnc(CCC(=O)NCC3CCCO3)o2)cc1
InChIInChI=1S/C20H26N2O3/c1-14(2)15-5-7-16(8-6-15)18-13-22-20(25-18)10-9-19(23)21-12-17-4-3-11-24-17/h5-8,13-14,17H,3-4,9-12H2,1-2H3,(H,21,23)
InChIKeyPNROQMKPNDRFKF-UHFFFAOYSA-N
XLogP3.69
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2S)-oxolan-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 30822933
3-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 133150016
trans-(1S,2R)-2-[[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 108809128
3-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 133245079
3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]-N-prop-2-enylpropanamide
CID 108784863
N-benzyl-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784781
N-(2-methoxyethyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784762
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 25475952
N-[(4-chlorophenyl)methyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784775
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

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide (CID 108784774) is N-(oxolan-2-ylmethyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide is CC(C)c1ccc(-c2cnc(CCC(=O)NCC3CCCO3)o2)cc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is PNROQMKPNDRFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-14(2)15-5-7-16(8-6-15)18-13-22-20(25-18)10-9-19(23)21-12-17-4-3-11-24-17/h5-8,13-14,17H,3-4,9-12H2,1-2H3,(H,21,23).
What are the key properties of N-(oxolan-2-ylmethyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide?
N-(oxolan-2-ylmethyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 342.44 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 108784774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).