[2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-oxazol-4-yl]-[(2S)-2-phenylazetidin-1-yl]methanone

C22H22N2O4 — CID 95214719

IUPAC[2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-oxazol-4-yl]-[(2S)-2-phenylazetidin-1-yl]methanone
SMILESCOc1cc(C)ccc1OCc1nc(C(=O)N2CC[C@H]2c2ccccc2)co1
InChIInChI=1S/C22H22N2O4/c1-15-8-9-19(20(12-15)26-2)27-14-21-23-17(13-28-21)22(25)24-11-10-18(24)16-6-4-3-5-7-16/h3-9,12-13,18H,10-11,14H2,1-2H3/t18-/m0/s1
InChIKeyMJWZUHOGUPZNIV-SFHVURJKSA-N
MW378.43 g/mol
LogP4.16
Rot. Bonds6

About [2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-oxazol-4-yl]-[(2S)-2-phenylazetidin-1-yl]methanone

[2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-oxazol-4-yl]-[(2S)-2-phenylazetidin-1-yl]methanone (PubChem CID 95214719) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is [2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-oxazol-4-yl]-[(2S)-2-phenylazetidin-1-yl]methanone.

Molecular Properties

Compound Name[2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-oxazol-4-yl]-[(2S)-2-phenylazetidin-1-yl]methanone
PubChem CID95214719
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name[2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-oxazol-4-yl]-[(2S)-2-phenylazetidin-1-yl]methanone
SMILESCOc1cc(C)ccc1OCc1nc(C(=O)N2CC[C@H]2c2ccccc2)co1
InChIInChI=1S/C22H22N2O4/c1-15-8-9-19(20(12-15)26-2)27-14-21-23-17(13-28-21)22(25)24-11-10-18(24)16-6-4-3-5-7-16/h3-9,12-13,18H,10-11,14H2,1-2H3/t18-/m0/s1
InChIKeyMJWZUHOGUPZNIV-SFHVURJKSA-N
XLogP4.16
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-oxazol-4-yl]-[(2S)-2-phenylazetidin-1-yl]methanone with MolForge

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Related Compounds

(2-phenylazetidin-1-yl)-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone
CID 56714015
N-cyclohexyl-2-[(2-methoxy-4-methylphenoxy)methyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 26404586
[2-(benzimidazol-1-ylmethyl)-1,3-oxazol-4-yl]-[(2R)-2-phenylazetidin-1-yl]methanone
CID 95225726
N-(2,2-dimethyloxan-4-yl)-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-oxazole-4-carboxamide
CID 45252502
[2-[(2-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 42300285
2-[(2-methoxy-4-methylphenoxy)methyl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 42529733
5-[(2-methoxy-4-methylphenoxy)methyl]-1,3,4-oxadiazole-2-carboxylic acid
CID 39363718
ethyl 1-[2-[(2-fluorophenoxy)methyl]-1,3-oxazole-4-carbonyl]piperidine-4-carboxylate
CID 25454862
N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-phenylpyrrolidine-1-carboxamide
CID 55743472
[2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3R)-3-methoxypiperidin-1-yl]methanone
CID 26391635
ethyl 1-[2-[(2-fluorophenoxy)methyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxylate
CID 45247251
(2-methoxyphenyl)-[(2R)-2-(3-methylphenyl)pyrrolidin-1-yl]methanone
CID 95053415

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-oxazol-4-yl]-[(2S)-2-phenylazetidin-1-yl]methanone?
The IUPAC name of [2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-oxazol-4-yl]-[(2S)-2-phenylazetidin-1-yl]methanone (CID 95214719) is [2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-oxazol-4-yl]-[(2S)-2-phenylazetidin-1-yl]methanone.
What is the SMILES notation for [2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-oxazol-4-yl]-[(2S)-2-phenylazetidin-1-yl]methanone?
The canonical SMILES for [2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-oxazol-4-yl]-[(2S)-2-phenylazetidin-1-yl]methanone is COc1cc(C)ccc1OCc1nc(C(=O)N2CC[C@H]2c2ccccc2)co1.
What is the InChIKey of [2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-oxazol-4-yl]-[(2S)-2-phenylazetidin-1-yl]methanone?
The InChIKey is MJWZUHOGUPZNIV-SFHVURJKSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-15-8-9-19(20(12-15)26-2)27-14-21-23-17(13-28-21)22(25)24-11-10-18(24)16-6-4-3-5-7-16/h3-9,12-13,18H,10-11,14H2,1-2H3/t18-/m0/s1.
What are the key properties of [2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-oxazol-4-yl]-[(2S)-2-phenylazetidin-1-yl]methanone?
[2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-oxazol-4-yl]-[(2S)-2-phenylazetidin-1-yl]methanone has a molecular weight of 378.43 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-oxazol-4-yl]-[(2S)-2-phenylazetidin-1-yl]methanone is sourced from PubChem (CID 95214719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).