(3,5-dimethyl-1,2-oxazol-4-yl)-(3-hydroxyazetidin-1-yl)methanone

C9H12N2O3 — CID 63105652

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-(3-hydroxyazetidin-1-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CC(O)C1
InChIInChI=1S/C9H12N2O3/c1-5-8(6(2)14-10-5)9(13)11-3-7(12)4-11/h7,12H,3-4H2,1-2H3
InChIKeyGMMODKSEEMTSJW-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.11
Rot. Bonds1

About (3,5-dimethyl-1,2-oxazol-4-yl)-(3-hydroxyazetidin-1-yl)methanone

(3,5-dimethyl-1,2-oxazol-4-yl)-(3-hydroxyazetidin-1-yl)methanone (PubChem CID 63105652) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-(3-hydroxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-(3-hydroxyazetidin-1-yl)methanone
PubChem CID63105652
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-(3-hydroxyazetidin-1-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CC(O)C1
InChIInChI=1S/C9H12N2O3/c1-5-8(6(2)14-10-5)9(13)11-3-7(12)4-11/h7,12H,3-4H2,1-2H3
InChIKeyGMMODKSEEMTSJW-UHFFFAOYSA-N
XLogP0.11
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]propanoic acid
CID 116680882
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 63105123
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]methanone
CID 133266538
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R,4S)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 95780593
(2S,4S)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 28778304
(3aR,7aS)-2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 99989685
4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 38725800
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 96500616
1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidine-4-carbonitrile
CID 49063486
(3,5-dimethyl-1,2-oxazol-4-yl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 110159487
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62372490
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 120817861

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-(3-hydroxyazetidin-1-yl)methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-(3-hydroxyazetidin-1-yl)methanone (CID 63105652) is (3,5-dimethyl-1,2-oxazol-4-yl)-(3-hydroxyazetidin-1-yl)methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-(3-hydroxyazetidin-1-yl)methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-(3-hydroxyazetidin-1-yl)methanone is Cc1noc(C)c1C(=O)N1CC(O)C1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-(3-hydroxyazetidin-1-yl)methanone?
The InChIKey is GMMODKSEEMTSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-5-8(6(2)14-10-5)9(13)11-3-7(12)4-11/h7,12H,3-4H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-(3-hydroxyazetidin-1-yl)methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-(3-hydroxyazetidin-1-yl)methanone has a molecular weight of 196.21 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-(3-hydroxyazetidin-1-yl)methanone is sourced from PubChem (CID 63105652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).