[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-(3-methylmorpholin-4-yl)methanone

C16H18N2O4 — CID 176716360

IUPAC[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-(3-methylmorpholin-4-yl)methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCOCC3C)no2)cc1
InChIInChI=1S/C16H18N2O4/c1-11-10-21-8-7-18(11)16(19)14-9-15(22-17-14)12-3-5-13(20-2)6-4-12/h3-6,9,11H,7-8,10H2,1-2H3
InChIKeyUSTWOGFXCUPPBK-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.21
Rot. Bonds3

About [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-(3-methylmorpholin-4-yl)methanone

[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-(3-methylmorpholin-4-yl)methanone (PubChem CID 176716360) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-(3-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-(3-methylmorpholin-4-yl)methanone
PubChem CID176716360
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-(3-methylmorpholin-4-yl)methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCOCC3C)no2)cc1
InChIInChI=1S/C16H18N2O4/c1-11-10-21-8-7-18(11)16(19)14-9-15(22-17-14)12-3-5-13(20-2)6-4-12/h3-6,9,11H,7-8,10H2,1-2H3
InChIKeyUSTWOGFXCUPPBK-UHFFFAOYSA-N
XLogP2.21
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(4-methoxyphenyl)furan-2-yl]-1-(3-methylmorpholin-4-yl)propan-1-one
CID 56811975
(6-methoxypyrazin-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 136581263
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 92893460
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 51855884
5-(4-methoxyphenyl)-1,2-oxazole-3-carbonyl chloride
CID 43840572
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-[(2S)-2-(3-methylphenyl)pyrrolidin-1-yl]methanone
CID 51856197
[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methanone
CID 51855646
(7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 110313518
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-(3-methylmorpholin-4-yl)methanone
CID 51078085
(2,4-dimethylpiperazin-1-yl)-[5-(2-fluoro-4-methoxyphenyl)-1,2-oxazol-3-yl]methanone
CID 71877149
(2-methylpiperidin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 3158156
[2-(4-methoxyphenyl)pyrrolidin-1-yl]-[5-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-1,2-oxazol-3-yl]methanone
CID 146230060

Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-(3-methylmorpholin-4-yl)methanone?
The IUPAC name of [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-(3-methylmorpholin-4-yl)methanone (CID 176716360) is [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-(3-methylmorpholin-4-yl)methanone.
What is the SMILES notation for [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-(3-methylmorpholin-4-yl)methanone?
The canonical SMILES for [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-(3-methylmorpholin-4-yl)methanone is COc1ccc(-c2cc(C(=O)N3CCOCC3C)no2)cc1.
What is the InChIKey of [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-(3-methylmorpholin-4-yl)methanone?
The InChIKey is USTWOGFXCUPPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-11-10-21-8-7-18(11)16(19)14-9-15(22-17-14)12-3-5-13(20-2)6-4-12/h3-6,9,11H,7-8,10H2,1-2H3.
What are the key properties of [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-(3-methylmorpholin-4-yl)methanone?
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-(3-methylmorpholin-4-yl)methanone has a molecular weight of 302.33 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-(3-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 176716360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).