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

C18H22N2O4 — CID 133245079

IUPAC3-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)propanamide
SMILESCOc1cccc(-c2cnc(CCC(=O)NCC3CCCO3)o2)c1
InChIInChI=1S/C18H22N2O4/c1-22-14-5-2-4-13(10-14)16-12-20-18(24-16)8-7-17(21)19-11-15-6-3-9-23-15/h2,4-5,10,12,15H,3,6-9,11H2,1H3,(H,19,21)
InChIKeyKMEAWYHUORZLRF-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.58
Rot. Bonds7

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

3-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 133245079) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 3-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)propanamide
PubChem CID133245079
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name3-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)propanamide
SMILESCOc1cccc(-c2cnc(CCC(=O)NCC3CCCO3)o2)c1
InChIInChI=1S/C18H22N2O4/c1-22-14-5-2-4-13(10-14)16-12-20-18(24-16)8-7-17(21)19-11-15-6-3-9-23-15/h2,4-5,10,12,15H,3,6-9,11H2,1H3,(H,19,21)
InChIKeyKMEAWYHUORZLRF-UHFFFAOYSA-N
XLogP2.58
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
N-(oxolan-2-ylmethyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784774
3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-[(2-phenyloxan-3-yl)methyl]propanamide
CID 86867826
N-[(2-tert-butyloxan-3-yl)methyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide
CID 86971593
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 7419913
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 25475952
3-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-(1-methoxypropan-2-yl)propanamide
CID 133245082
2-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 110329457
3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434
N-[(2-hydroxycyclopentyl)methyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide
CID 111471424
N-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 94793728

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)propanamide (CID 133245079) is 3-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)propanamide is COc1cccc(-c2cnc(CCC(=O)NCC3CCCO3)o2)c1.
What is the InChIKey of 3-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is KMEAWYHUORZLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-22-14-5-2-4-13(10-14)16-12-20-18(24-16)8-7-17(21)19-11-15-6-3-9-23-15/h2,4-5,10,12,15H,3,6-9,11H2,1H3,(H,19,21).
What are the key properties of 3-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)propanamide?
3-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 330.38 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 133245079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).