2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]azetidin-3-yl]acetic acid

C12H17N3O4 — CID 114180734

IUPAC2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]azetidin-3-yl]acetic acid
SMILESCc1nc(CNC(=O)N2CC(CC(=O)O)C2)oc1C
InChIInChI=1S/C12H17N3O4/c1-7-8(2)19-10(14-7)4-13-12(18)15-5-9(6-15)3-11(16)17/h9H,3-6H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyLCLUJGVXYPEQPG-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.91
Rot. Bonds4

About 2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]azetidin-3-yl]acetic acid

2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]azetidin-3-yl]acetic acid (PubChem CID 114180734) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]azetidin-3-yl]acetic acid
PubChem CID114180734
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]azetidin-3-yl]acetic acid
SMILESCc1nc(CNC(=O)N2CC(CC(=O)O)C2)oc1C
InChIInChI=1S/C12H17N3O4/c1-7-8(2)19-10(14-7)4-13-12(18)15-5-9(6-15)3-11(16)17/h9H,3-6H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyLCLUJGVXYPEQPG-UHFFFAOYSA-N
XLogP0.91
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]azetidin-3-yl]acetic acid with MolForge

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Related Compounds

(3S)-3-benzyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidine-1-carboxamide
CID 95930872
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(2-methylpropyl)piperidine-1-carboxamide
CID 71919607
(2S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 106374898
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclopropanecarboxamide
CID 103623190
2-[1-(pyridin-4-ylmethylcarbamoyl)azetidin-3-yl]acetic acid
CID 64619007
cyclopropylmethyl N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]carbamate
CID 154804982
2-[1-[(1-methylpyrazol-4-yl)methylcarbamoyl]azetidin-3-yl]acetic acid
CID 64617071
6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-6-oxohexanoic acid
CID 106370238
4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclohexane-1-carboxamide
CID 113264029
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]-2-methylpyrrolidine-2-carboxylic acid
CID 106374874
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(prop-2-ynylamino)acetamide
CID 106371733
2-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetyl]amino]acetic acid
CID 106374923

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]azetidin-3-yl]acetic acid (CID 114180734) is 2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]azetidin-3-yl]acetic acid is Cc1nc(CNC(=O)N2CC(CC(=O)O)C2)oc1C.
What is the InChIKey of 2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]azetidin-3-yl]acetic acid?
The InChIKey is LCLUJGVXYPEQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-7-8(2)19-10(14-7)4-13-12(18)15-5-9(6-15)3-11(16)17/h9H,3-6H2,1-2H3,(H,13,18)(H,16,17).
What are the key properties of 2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]azetidin-3-yl]acetic acid?
2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]azetidin-3-yl]acetic acid has a molecular weight of 267.28 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 114180734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).