[2-(cyclopropylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

C11H14N2O4 — CID 2520589

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(C)c1C(=O)OCC(=O)NC1CC1
InChIInChI=1S/C11H14N2O4/c1-6-10(7(2)17-13-6)11(15)16-5-9(14)12-8-3-4-8/h8H,3-5H2,1-2H3,(H,12,14)
InChIKeyHQPWCQVWXSZLDC-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.73
Rot. Bonds4

About [2-(cyclopropylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

[2-(cyclopropylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (PubChem CID 2520589) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
PubChem CID2520589
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(C)c1C(=O)OCC(=O)NC1CC1
InChIInChI=1S/C11H14N2O4/c1-6-10(7(2)17-13-6)11(15)16-5-9(14)12-8-3-4-8/h8H,3-5H2,1-2H3,(H,12,14)
InChIKeyHQPWCQVWXSZLDC-UHFFFAOYSA-N
XLogP0.73
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(2-Methylcyclohexyl)amino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 3946039
[2-[(1,1-Dioxothiolan-3-yl)amino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 4544435
Methyl 3-(chloromethyl)-5-(2-methoxyethylcarbamoyl)-1,2-oxazole-4-carboxylate
CID 11958479
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2997793
[1-(Methylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 3927260
[2-Oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2560801
[2-(2-Methylpiperidin-1-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 4557140
[2-(1-Adamantylmethylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 4829016
[1-Oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 16570740
3,5-Dimethyl-4-[(pyrrolidin-3-yloxy)methyl]-1,2-oxazole
CID 62328952
[1-(3,5-Dimethylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 102556288
N-[rac-(3S,4R)-4-methoxytetrahydrofuran-3-yl]-3,5-dimethylisoxazole-4-carboxamide
CID 131927971

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (CID 2520589) is [2-(cyclopropylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is Cc1noc(C)c1C(=O)OCC(=O)NC1CC1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The InChIKey is HQPWCQVWXSZLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-6-10(7(2)17-13-6)11(15)16-5-9(14)12-8-3-4-8/h8H,3-5H2,1-2H3,(H,12,14).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
[2-(cyclopropylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate has a molecular weight of 238.24 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 2520589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).