3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid

C14H20N2O4 — CID 79236899

IUPAC3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCc1noc(C)c1C(C)NC(=O)C1C(C(=O)O)C1(C)C
InChIInChI=1S/C14H20N2O4/c1-6(9-7(2)16-20-8(9)3)15-12(17)10-11(13(18)19)14(10,4)5/h6,10-11H,1-5H3,(H,15,17)(H,18,19)
InChIKeyXXWMJYHBZJLWKV-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.83
Rot. Bonds4

About 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid

3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 79236899) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID79236899
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCc1noc(C)c1C(C)NC(=O)C1C(C(=O)O)C1(C)C
InChIInChI=1S/C14H20N2O4/c1-6(9-7(2)16-20-8(9)3)15-12(17)10-11(13(18)19)14(10,4)5/h6,10-11H,1-5H3,(H,15,17)(H,18,19)
InChIKeyXXWMJYHBZJLWKV-UHFFFAOYSA-N
XLogP1.83
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]azetidine-3-carboxamide
CID 79236864
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylurea
CID 115626660
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,2-difluoroacetamide
CID 103515802
4-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyloxolane-3-carboxamide
CID 79236389
2,2-dimethyl-3-(1-phenylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 64835939
2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoylamino]acetic acid
CID 79242440
(2S)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidine-2-carboxamide
CID 103811457
4-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]benzoic acid
CID 79230846
2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]-3,3-dimethylbutanoic acid
CID 116537298
2-cyano-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylbutanamide
CID 79236801
3-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propanamide
CID 79237007
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-hydroxypentanamide
CID 79237770

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid (CID 79236899) is 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid is Cc1noc(C)c1C(C)NC(=O)C1C(C(=O)O)C1(C)C.
What is the InChIKey of 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is XXWMJYHBZJLWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-6(9-7(2)16-20-8(9)3)15-12(17)10-11(13(18)19)14(10,4)5/h6,10-11H,1-5H3,(H,15,17)(H,18,19).
What are the key properties of 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 280.32 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 79236899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).