(3,3-dimethylazetidin-1-yl)-(1,2-oxazol-5-yl)methanone

C9H12N2O2 — CID 130666904

IUPAC(3,3-dimethylazetidin-1-yl)-(1,2-oxazol-5-yl)methanone
SMILESCC1(C)CN(C(=O)c2ccno2)C1
InChIInChI=1S/C9H12N2O2/c1-9(2)5-11(6-9)8(12)7-3-4-10-13-7/h3-4H,5-6H2,1-2H3
InChIKeyLGRPNJXKSOSLPN-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.16
Rot. Bonds1

About (3,3-dimethylazetidin-1-yl)-(1,2-oxazol-5-yl)methanone

(3,3-dimethylazetidin-1-yl)-(1,2-oxazol-5-yl)methanone (PubChem CID 130666904) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is (3,3-dimethylazetidin-1-yl)-(1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name(3,3-dimethylazetidin-1-yl)-(1,2-oxazol-5-yl)methanone
PubChem CID130666904
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name(3,3-dimethylazetidin-1-yl)-(1,2-oxazol-5-yl)methanone
SMILESCC1(C)CN(C(=O)c2ccno2)C1
InChIInChI=1S/C9H12N2O2/c1-9(2)5-11(6-9)8(12)7-3-4-10-13-7/h3-4H,5-6H2,1-2H3
InChIKeyLGRPNJXKSOSLPN-UHFFFAOYSA-N
XLogP1.16
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]propanoic acid
CID 62317773
2-oxa-7-azaspiro[4.4]nonan-7-yl(1,2-oxazol-5-yl)methanone
CID 131641455
[(5R)-1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-9-yl]-(1,2-oxazol-5-yl)methanone
CID 97473242
(2R,3S)-N-methyl-5-(1,2-oxazole-5-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492507
1,2-oxazol-5-yl-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 171156342
1,4-diazepan-1-yl(1,2-oxazol-5-yl)methanone
CID 28776622
2-methyl-1-[(5R)-7-(1,2-oxazole-5-carbonyl)-1,7-diazaspiro[4.4]nonan-1-yl]propan-1-one
CID 97473084
1,2-oxazol-5-yl-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121164760
methyl 1-(1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylate
CID 115825393
[4-(4-methoxyphenyl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 110693625
3-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]propanoic acid
CID 43522114
(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(1,2-oxazol-5-yl)methanone
CID 66242939

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylazetidin-1-yl)-(1,2-oxazol-5-yl)methanone?
The IUPAC name of (3,3-dimethylazetidin-1-yl)-(1,2-oxazol-5-yl)methanone (CID 130666904) is (3,3-dimethylazetidin-1-yl)-(1,2-oxazol-5-yl)methanone.
What is the SMILES notation for (3,3-dimethylazetidin-1-yl)-(1,2-oxazol-5-yl)methanone?
The canonical SMILES for (3,3-dimethylazetidin-1-yl)-(1,2-oxazol-5-yl)methanone is CC1(C)CN(C(=O)c2ccno2)C1.
What is the InChIKey of (3,3-dimethylazetidin-1-yl)-(1,2-oxazol-5-yl)methanone?
The InChIKey is LGRPNJXKSOSLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-9(2)5-11(6-9)8(12)7-3-4-10-13-7/h3-4H,5-6H2,1-2H3.
What are the key properties of (3,3-dimethylazetidin-1-yl)-(1,2-oxazol-5-yl)methanone?
(3,3-dimethylazetidin-1-yl)-(1,2-oxazol-5-yl)methanone has a molecular weight of 180.21 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylazetidin-1-yl)-(1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 130666904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).