[(3R)-3-[[4-methoxy-3-(1,3-oxazol-2-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone

C24H23N5O4 — CID 71565956

IUPAC[(3R)-3-[[4-methoxy-3-(1,3-oxazol-2-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESCOc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-c1ncco1
InChIInChI=1S/C24H23N5O4/c1-31-22-7-6-17(15-20(22)23-25-10-12-33-23)14-18-16-32-13-11-28(18)24(30)19-4-2-3-5-21(19)29-26-8-9-27-29/h2-10,12,15,18H,11,13-14,16H2,1H3/t18-/m1/s1
InChIKeyGHEMSERNBZGDLL-GOSISDBHSA-N
MW445.48 g/mol
LogP3.01
Rot. Bonds6

About [(3R)-3-[[4-methoxy-3-(1,3-oxazol-2-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone

[(3R)-3-[[4-methoxy-3-(1,3-oxazol-2-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone (PubChem CID 71565956) has the molecular formula C24H23N5O4 and a molecular weight of 445.48 g/mol. Its IUPAC name is [(3R)-3-[[4-methoxy-3-(1,3-oxazol-2-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-[[4-methoxy-3-(1,3-oxazol-2-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone
PubChem CID71565956
Molecular FormulaC24H23N5O4
Molecular Weight445.48 g/mol
Exact Mass445.18
IUPAC Name[(3R)-3-[[4-methoxy-3-(1,3-oxazol-2-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESCOc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-c1ncco1
InChIInChI=1S/C24H23N5O4/c1-31-22-7-6-17(15-20(22)23-25-10-12-33-23)14-18-16-32-13-11-28(18)24(30)19-4-2-3-5-21(19)29-26-8-9-27-29/h2-10,12,15,18H,11,13-14,16H2,1H3/t18-/m1/s1
InChIKeyGHEMSERNBZGDLL-GOSISDBHSA-N
XLogP3.01
TPSA95.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[(3R)-3-[(3-thiophen-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 71566268
[3-[(3-thiophen-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 78114294
[4-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[4-methyl-3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone
CID 71565731
[5-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone
CID 71566197
[3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)-4-(trifluoromethyl)phenyl]methanone
CID 78114425
[(3R)-3-[[2-chloro-5-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone
CID 118117277
(3,4-dimethoxyphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 84581547
(5-chloro-2-methoxyphenyl)-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]methanone
CID 97040326
[(2R,5R)-5-[[3-(hydroxymethyl)-4-methoxy-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 87055132
2-[(3R,6S)-6-(hydroxymethyl)-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-6-methoxybenzoic acid
CID 139268945
[3-(2-methoxyphenyl)phenyl]-(3-propylmorpholin-4-yl)methanone
CID 91777127
[4-methyl-2-(triazol-2-yl)phenyl]-[(2R,5R)-2-methyl-5-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone
CID 71565520

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[[4-methoxy-3-(1,3-oxazol-2-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [(3R)-3-[[4-methoxy-3-(1,3-oxazol-2-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone (CID 71565956) is [(3R)-3-[[4-methoxy-3-(1,3-oxazol-2-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [(3R)-3-[[4-methoxy-3-(1,3-oxazol-2-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [(3R)-3-[[4-methoxy-3-(1,3-oxazol-2-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone is COc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-c1ncco1.
What is the InChIKey of [(3R)-3-[[4-methoxy-3-(1,3-oxazol-2-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone?
The InChIKey is GHEMSERNBZGDLL-GOSISDBHSA-N. The full InChI is InChI=1S/C24H23N5O4/c1-31-22-7-6-17(15-20(22)23-25-10-12-33-23)14-18-16-32-13-11-28(18)24(30)19-4-2-3-5-21(19)29-26-8-9-27-29/h2-10,12,15,18H,11,13-14,16H2,1H3/t18-/m1/s1.
What are the key properties of [(3R)-3-[[4-methoxy-3-(1,3-oxazol-2-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone?
[(3R)-3-[[4-methoxy-3-(1,3-oxazol-2-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone has a molecular weight of 445.48 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[[4-methoxy-3-(1,3-oxazol-2-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 71565956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).