2-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)acetic acid

C9H11NO3 — CID 82125302

IUPAC2-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)acetic acid
SMILESCc1nc(C2CC2)oc1CC(=O)O
InChIInChI=1S/C9H11NO3/c1-5-7(4-8(11)12)13-9(10-5)6-2-3-6/h6H,2-4H2,1H3,(H,11,12)
InChIKeyNBCMILRAHMPZOC-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.49
Rot. Bonds3

About 2-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)acetic acid

2-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)acetic acid (PubChem CID 82125302) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)acetic acid
PubChem CID82125302
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name2-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)acetic acid
SMILESCc1nc(C2CC2)oc1CC(=O)O
InChIInChI=1S/C9H11NO3/c1-5-7(4-8(11)12)13-9(10-5)6-2-3-6/h6H,2-4H2,1H3,(H,11,12)
InChIKeyNBCMILRAHMPZOC-UHFFFAOYSA-N
XLogP1.49
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)acetic acid?
The IUPAC name of 2-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)acetic acid (CID 82125302) is 2-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)acetic acid.
What is the SMILES notation for 2-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)acetic acid?
The canonical SMILES for 2-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)acetic acid is Cc1nc(C2CC2)oc1CC(=O)O.
What is the InChIKey of 2-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)acetic acid?
The InChIKey is NBCMILRAHMPZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-5-7(4-8(11)12)13-9(10-5)6-2-3-6/h6H,2-4H2,1H3,(H,11,12).
What are the key properties of 2-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)acetic acid?
2-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)acetic acid has a molecular weight of 181.19 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)acetic acid is sourced from PubChem (CID 82125302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).