2-ethoxy-N-[[2-[3-(3-hydroxypropyl)-4-methoxyphenyl]-1,3-oxazol-4-yl]methyl]benzamide

C23H26N2O5 — CID 141337828

IUPAC2-ethoxy-N-[[2-[3-(3-hydroxypropyl)-4-methoxyphenyl]-1,3-oxazol-4-yl]methyl]benzamide
SMILESCCOc1ccccc1C(=O)NCc1coc(-c2ccc(OC)c(CCCO)c2)n1
InChIInChI=1S/C23H26N2O5/c1-3-29-21-9-5-4-8-19(21)22(27)24-14-18-15-30-23(25-18)17-10-11-20(28-2)16(13-17)7-6-12-26/h4-5,8-11,13,15,26H,3,6-7,12,14H2,1-2H3,(H,24,27)
InChIKeyKJKAVNPRCHYWAB-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.60
Rot. Bonds10

About 2-ethoxy-N-[[2-[3-(3-hydroxypropyl)-4-methoxyphenyl]-1,3-oxazol-4-yl]methyl]benzamide

2-ethoxy-N-[[2-[3-(3-hydroxypropyl)-4-methoxyphenyl]-1,3-oxazol-4-yl]methyl]benzamide (PubChem CID 141337828) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is 2-ethoxy-N-[[2-[3-(3-hydroxypropyl)-4-methoxyphenyl]-1,3-oxazol-4-yl]methyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[[2-[3-(3-hydroxypropyl)-4-methoxyphenyl]-1,3-oxazol-4-yl]methyl]benzamide
PubChem CID141337828
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Name2-ethoxy-N-[[2-[3-(3-hydroxypropyl)-4-methoxyphenyl]-1,3-oxazol-4-yl]methyl]benzamide
SMILESCCOc1ccccc1C(=O)NCc1coc(-c2ccc(OC)c(CCCO)c2)n1
InChIInChI=1S/C23H26N2O5/c1-3-29-21-9-5-4-8-19(21)22(27)24-14-18-15-30-23(25-18)17-10-11-20(28-2)16(13-17)7-6-12-26/h4-5,8-11,13,15,26H,3,6-7,12,14H2,1-2H3,(H,24,27)
InChIKeyKJKAVNPRCHYWAB-UHFFFAOYSA-N
XLogP3.60
TPSA93.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(3,4-dimethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-ethoxy-N-methylbenzamide
CID 68983058
3-ethoxy-N-[[2-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-1,3-oxazol-4-yl]methyl]pyridine-2-carboxamide
CID 68984760
3-[2-(4-ethoxy-3-hydroxyphenyl)-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one
CID 142695769
2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]-N-methylbenzamide
CID 47030230
N-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxy-5-hydroxybenzamide
CID 130176543
N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide
CID 17070136
2-methoxy-N-(1,3-oxazol-4-ylmethyl)benzamide
CID 110718900
N-[(2,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide
CID 46590246
2-(2,5-dimethoxyphenyl)-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 56659063
1-[2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1,3-oxazol-4-yl]-3-(2-methoxyphenyl)propan-2-one
CID 69124555
(2-phenyl-1,3-oxazol-4-yl)methyl (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate
CID 16564892
3-[2-[4-(difluoromethoxy)-3-hydroxyphenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one
CID 68984934

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[[2-[3-(3-hydroxypropyl)-4-methoxyphenyl]-1,3-oxazol-4-yl]methyl]benzamide?
The IUPAC name of 2-ethoxy-N-[[2-[3-(3-hydroxypropyl)-4-methoxyphenyl]-1,3-oxazol-4-yl]methyl]benzamide (CID 141337828) is 2-ethoxy-N-[[2-[3-(3-hydroxypropyl)-4-methoxyphenyl]-1,3-oxazol-4-yl]methyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[[2-[3-(3-hydroxypropyl)-4-methoxyphenyl]-1,3-oxazol-4-yl]methyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[[2-[3-(3-hydroxypropyl)-4-methoxyphenyl]-1,3-oxazol-4-yl]methyl]benzamide is CCOc1ccccc1C(=O)NCc1coc(-c2ccc(OC)c(CCCO)c2)n1.
What is the InChIKey of 2-ethoxy-N-[[2-[3-(3-hydroxypropyl)-4-methoxyphenyl]-1,3-oxazol-4-yl]methyl]benzamide?
The InChIKey is KJKAVNPRCHYWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-3-29-21-9-5-4-8-19(21)22(27)24-14-18-15-30-23(25-18)17-10-11-20(28-2)16(13-17)7-6-12-26/h4-5,8-11,13,15,26H,3,6-7,12,14H2,1-2H3,(H,24,27).
What are the key properties of 2-ethoxy-N-[[2-[3-(3-hydroxypropyl)-4-methoxyphenyl]-1,3-oxazol-4-yl]methyl]benzamide?
2-ethoxy-N-[[2-[3-(3-hydroxypropyl)-4-methoxyphenyl]-1,3-oxazol-4-yl]methyl]benzamide has a molecular weight of 410.47 g/mol, XLogP of 3.60, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[[2-[3-(3-hydroxypropyl)-4-methoxyphenyl]-1,3-oxazol-4-yl]methyl]benzamide is sourced from PubChem (CID 141337828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).