3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-[(2-phenyloxan-3-yl)methyl]propanamide

C25H28N2O4 — CID 86867826

IUPAC3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-[(2-phenyloxan-3-yl)methyl]propanamide
SMILESCOc1ccc(-c2cnc(CCC(=O)NCC3CCCOC3c3ccccc3)o2)cc1
InChIInChI=1S/C25H28N2O4/c1-29-21-11-9-18(10-12-21)22-17-27-24(31-22)14-13-23(28)26-16-20-8-5-15-30-25(20)19-6-3-2-4-7-19/h2-4,6-7,9-12,17,20,25H,5,8,13-16H2,1H3,(H,26,28)
InChIKeyZXBVKNLBLKOFMR-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.57
Rot. Bonds8

About 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-[(2-phenyloxan-3-yl)methyl]propanamide

3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-[(2-phenyloxan-3-yl)methyl]propanamide (PubChem CID 86867826) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-[(2-phenyloxan-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-[(2-phenyloxan-3-yl)methyl]propanamide
PubChem CID86867826
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC Name3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-[(2-phenyloxan-3-yl)methyl]propanamide
SMILESCOc1ccc(-c2cnc(CCC(=O)NCC3CCCOC3c3ccccc3)o2)cc1
InChIInChI=1S/C25H28N2O4/c1-29-21-11-9-18(10-12-21)22-17-27-24(31-22)14-13-23(28)26-16-20-8-5-15-30-25(20)19-6-3-2-4-7-19/h2-4,6-7,9-12,17,20,25H,5,8,13-16H2,1H3,(H,26,28)
InChIKeyZXBVKNLBLKOFMR-UHFFFAOYSA-N
XLogP4.57
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-tert-butyloxan-3-yl)methyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide
CID 86971593
N-[(2-hydroxycyclopentyl)methyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide
CID 111471424
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
3-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 133245079
N-(oxolan-2-ylmethyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784774
N-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 94793728
N-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 94793725
trans-(1S,2R)-2-[[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 108809128
N-(2-bromophenyl)-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide
CID 95047586
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 7419913
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-methoxyphenyl)-1,3-oxazol-2-yl]-N-[(2-phenyloxan-3-yl)methyl]propanamide?
The IUPAC name of 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-[(2-phenyloxan-3-yl)methyl]propanamide (CID 86867826) is 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-[(2-phenyloxan-3-yl)methyl]propanamide.
What is the SMILES notation for 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-[(2-phenyloxan-3-yl)methyl]propanamide?
The canonical SMILES for 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-[(2-phenyloxan-3-yl)methyl]propanamide is COc1ccc(-c2cnc(CCC(=O)NCC3CCCOC3c3ccccc3)o2)cc1.
What is the InChIKey of 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-[(2-phenyloxan-3-yl)methyl]propanamide?
The InChIKey is ZXBVKNLBLKOFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-29-21-11-9-18(10-12-21)22-17-27-24(31-22)14-13-23(28)26-16-20-8-5-15-30-25(20)19-6-3-2-4-7-19/h2-4,6-7,9-12,17,20,25H,5,8,13-16H2,1H3,(H,26,28).
What are the key properties of 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-[(2-phenyloxan-3-yl)methyl]propanamide?
3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-[(2-phenyloxan-3-yl)methyl]propanamide has a molecular weight of 420.51 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-[(2-phenyloxan-3-yl)methyl]propanamide is sourced from PubChem (CID 86867826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).