[3-(4-methylphenoxy)azetidin-1-yl]-(1,3-oxazol-5-yl)methanone

C14H14N2O3 — CID 90650534

IUPAC[3-(4-methylphenoxy)azetidin-1-yl]-(1,3-oxazol-5-yl)methanone
SMILESCc1ccc(OC2CN(C(=O)c3cnco3)C2)cc1
InChIInChI=1S/C14H14N2O3/c1-10-2-4-11(5-3-10)19-12-7-16(8-12)14(17)13-6-15-9-18-13/h2-6,9,12H,7-8H2,1H3
InChIKeyQMBBXCQZNYLTST-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.89
Rot. Bonds3

About [3-(4-methylphenoxy)azetidin-1-yl]-(1,3-oxazol-5-yl)methanone

[3-(4-methylphenoxy)azetidin-1-yl]-(1,3-oxazol-5-yl)methanone (PubChem CID 90650534) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is [3-(4-methylphenoxy)azetidin-1-yl]-(1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(4-methylphenoxy)azetidin-1-yl]-(1,3-oxazol-5-yl)methanone
PubChem CID90650534
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name[3-(4-methylphenoxy)azetidin-1-yl]-(1,3-oxazol-5-yl)methanone
SMILESCc1ccc(OC2CN(C(=O)c3cnco3)C2)cc1
InChIInChI=1S/C14H14N2O3/c1-10-2-4-11(5-3-10)19-12-7-16(8-12)14(17)13-6-15-9-18-13/h2-6,9,12H,7-8H2,1H3
InChIKeyQMBBXCQZNYLTST-UHFFFAOYSA-N
XLogP1.89
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3aS,6aR)-5-methoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1,3-oxazol-5-yl)methanone
CID 110126612
1-[3-(4-methylphenoxy)azetidin-1-yl]prop-2-en-1-one
CID 170199428
[3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-(1,3-oxazol-5-yl)methanone
CID 110098385
[(3R,5R)-3,5-dihydroxypiperidin-1-yl]-[5-methyl-4-[(4-methylphenoxy)methyl]furan-2-yl]methanone
CID 163317511
[3-(4-fluoro-3-methylphenoxy)azetidin-1-yl]-(4-methylphenyl)methanone
CID 134794607
[(2S)-2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-(1,3-oxazol-5-yl)methanone
CID 125027257
[2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-(1,3-oxazol-5-yl)methanone
CID 110113366
1-[3-(4-methylphenoxy)azetidin-1-yl]-2-(4-methylsulfonylphenyl)ethanone
CID 118776593
3-(4-methylphenoxy)piperidine-1-carboxylic acid
CID 175309673
1-[4-(1,3-oxazole-5-carbonyl)-6-(phenoxymethyl)-1,4-diazepan-1-yl]ethanone
CID 110258755
[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone
CID 95846146
(5R,6S)-4-cyclopropyl-6-[3-(4-methylphenoxy)azetidine-1-carbonyl]-5-pyridin-3-ylmorpholin-3-one
CID 163315519

Frequently Asked Questions

What is the IUPAC name of [3-(4-methylphenoxy)azetidin-1-yl]-(1,3-oxazol-5-yl)methanone?
The IUPAC name of [3-(4-methylphenoxy)azetidin-1-yl]-(1,3-oxazol-5-yl)methanone (CID 90650534) is [3-(4-methylphenoxy)azetidin-1-yl]-(1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [3-(4-methylphenoxy)azetidin-1-yl]-(1,3-oxazol-5-yl)methanone?
The canonical SMILES for [3-(4-methylphenoxy)azetidin-1-yl]-(1,3-oxazol-5-yl)methanone is Cc1ccc(OC2CN(C(=O)c3cnco3)C2)cc1.
What is the InChIKey of [3-(4-methylphenoxy)azetidin-1-yl]-(1,3-oxazol-5-yl)methanone?
The InChIKey is QMBBXCQZNYLTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-10-2-4-11(5-3-10)19-12-7-16(8-12)14(17)13-6-15-9-18-13/h2-6,9,12H,7-8H2,1H3.
What are the key properties of [3-(4-methylphenoxy)azetidin-1-yl]-(1,3-oxazol-5-yl)methanone?
[3-(4-methylphenoxy)azetidin-1-yl]-(1,3-oxazol-5-yl)methanone has a molecular weight of 258.28 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylphenoxy)azetidin-1-yl]-(1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 90650534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).