[(3S)-3-(hydroxymethyl)morpholin-4-yl]-[2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazol-4-yl]methanone

C21H22N2O6 — CID 95219193

IUPAC[(3S)-3-(hydroxymethyl)morpholin-4-yl]-[2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazol-4-yl]methanone
SMILESCOc1ccc2ccc(OCc3nc(C(=O)N4CCOC[C@@H]4CO)co3)cc2c1
InChIInChI=1S/C21H22N2O6/c1-26-17-4-2-14-3-5-18(9-15(14)8-17)28-13-20-22-19(12-29-20)21(25)23-6-7-27-11-16(23)10-24/h2-5,8-9,12,16,24H,6-7,10-11,13H2,1H3/t16-/m0/s1
InChIKeyXPDMNOINQYTQQU-INIZCTEOSA-N
MW398.42 g/mol
LogP2.25
Rot. Bonds6

About [(3S)-3-(hydroxymethyl)morpholin-4-yl]-[2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazol-4-yl]methanone

[(3S)-3-(hydroxymethyl)morpholin-4-yl]-[2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazol-4-yl]methanone (PubChem CID 95219193) has the molecular formula C21H22N2O6 and a molecular weight of 398.42 g/mol. Its IUPAC name is [(3S)-3-(hydroxymethyl)morpholin-4-yl]-[2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazol-4-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-(hydroxymethyl)morpholin-4-yl]-[2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazol-4-yl]methanone
PubChem CID95219193
Molecular FormulaC21H22N2O6
Molecular Weight398.42 g/mol
Exact Mass398.15
IUPAC Name[(3S)-3-(hydroxymethyl)morpholin-4-yl]-[2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazol-4-yl]methanone
SMILESCOc1ccc2ccc(OCc3nc(C(=O)N4CCOC[C@@H]4CO)co3)cc2c1
InChIInChI=1S/C21H22N2O6/c1-26-17-4-2-14-3-5-18(9-15(14)8-17)28-13-20-22-19(12-29-20)21(25)23-6-7-27-11-16(23)10-24/h2-5,8-9,12,16,24H,6-7,10-11,13H2,1H3/t16-/m0/s1
InChIKeyXPDMNOINQYTQQU-INIZCTEOSA-N
XLogP2.25
TPSA94.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2-ethylpiperidin-1-yl)-[2-[(4-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone
CID 45169442
[(3R)-3-ethylpiperazin-1-yl]-[2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazol-4-yl]methanone
CID 95217264
N-(cyclopropylmethyl)-2-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 56714469
2-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-1,3-oxazole-4-carboxamide
CID 95230039
2-(naphthalen-2-yloxymethyl)-1,3-oxazole-4-carboxylic acid
CID 82305472
[2-[(4-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]-[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methanone
CID 95194020
2-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-methyl-N-prop-2-enyl-1,3-oxazole-4-carboxamide
CID 56700894
[(2R)-2-ethyl-2,5-dihydropyrrol-1-yl]-[2-[(4-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone
CID 95228505
(3,4-dimethoxyphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 84581547
[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 45229409
[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone
CID 56707470
[(3S,4S)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-[2-[(4-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone
CID 56713621

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(hydroxymethyl)morpholin-4-yl]-[2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazol-4-yl]methanone?
The IUPAC name of [(3S)-3-(hydroxymethyl)morpholin-4-yl]-[2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazol-4-yl]methanone (CID 95219193) is [(3S)-3-(hydroxymethyl)morpholin-4-yl]-[2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazol-4-yl]methanone.
What is the SMILES notation for [(3S)-3-(hydroxymethyl)morpholin-4-yl]-[2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazol-4-yl]methanone?
The canonical SMILES for [(3S)-3-(hydroxymethyl)morpholin-4-yl]-[2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazol-4-yl]methanone is COc1ccc2ccc(OCc3nc(C(=O)N4CCOC[C@@H]4CO)co3)cc2c1.
What is the InChIKey of [(3S)-3-(hydroxymethyl)morpholin-4-yl]-[2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazol-4-yl]methanone?
The InChIKey is XPDMNOINQYTQQU-INIZCTEOSA-N. The full InChI is InChI=1S/C21H22N2O6/c1-26-17-4-2-14-3-5-18(9-15(14)8-17)28-13-20-22-19(12-29-20)21(25)23-6-7-27-11-16(23)10-24/h2-5,8-9,12,16,24H,6-7,10-11,13H2,1H3/t16-/m0/s1.
What are the key properties of [(3S)-3-(hydroxymethyl)morpholin-4-yl]-[2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazol-4-yl]methanone?
[(3S)-3-(hydroxymethyl)morpholin-4-yl]-[2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazol-4-yl]methanone has a molecular weight of 398.42 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(hydroxymethyl)morpholin-4-yl]-[2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazol-4-yl]methanone is sourced from PubChem (CID 95219193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).