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

C9H11NO3 — CID 90095766

IUPAC2-(5-cyclopropyl-2-methyl-1,3-oxazol-4-yl)acetic acid
SMILESCc1nc(CC(=O)O)c(C2CC2)o1
InChIInChI=1S/C9H11NO3/c1-5-10-7(4-8(11)12)9(13-5)6-2-3-6/h6H,2-4H2,1H3,(H,11,12)
InChIKeyDZNVHZKXAGJZOK-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.49
Rot. Bonds3

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

2-(5-cyclopropyl-2-methyl-1,3-oxazol-4-yl)acetic acid (PubChem CID 90095766) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-(5-cyclopropyl-2-methyl-1,3-oxazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(5-cyclopropyl-2-methyl-1,3-oxazol-4-yl)acetic acid
PubChem CID90095766
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name2-(5-cyclopropyl-2-methyl-1,3-oxazol-4-yl)acetic acid
SMILESCc1nc(CC(=O)O)c(C2CC2)o1
InChIInChI=1S/C9H11NO3/c1-5-10-7(4-8(11)12)9(13-5)6-2-3-6/h6H,2-4H2,1H3,(H,11,12)
InChIKeyDZNVHZKXAGJZOK-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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Related Compounds

5-Methyl-2-(1-methylcyclohexyl)-4-oxazoleacetic acid
CID 146082
3-[4-Propan-2-yl-2-(trifluoromethyl)-1,3-oxazol-5-yl]propanoic acid
CID 84018749
4-fluoro-2-methyl-6,7-dihydro-5H-1,3-benzoxazole-4-carboxylic acid
CID 84668658
2-(2-Cyclohexyl-5-methyl-oxazol-4-yl)-ethanol
CID 10856726
(2-Cyclohexyl-5-methyl-oxazol-4-yl)-acetic acid
CID 10857080
2-(2-Cyclopentyl-5-methyl-1,3-oxazol-4-yl)acetic acid
CID 13282956
Methyl 5-methyl-2-(1-methylcyclohexyl)-4-oxazoleacetate
CID 13282957
2-(2-Cycloheptyl-5-methyl-1,3-oxazol-4-yl)acetic acid
CID 13282960
2-(2-Cyclohexyl-5-ethyl-1,3-oxazol-4-yl)acetic acid
CID 13282961
2-(2-Cyclohexyl-5-propyl-1,3-oxazol-4-yl)acetic acid
CID 13282962
2-[2-(Cyclohexylmethyl)-5-methyl-1,3-oxazol-4-yl]acetic acid
CID 13282963
2-(2-Cyclohex-3-en-1-yl-5-methyl-1,3-oxazol-4-yl)acetic acid
CID 13282964

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopropyl-2-methyl-1,3-oxazol-4-yl)acetic acid?
The IUPAC name of 2-(5-cyclopropyl-2-methyl-1,3-oxazol-4-yl)acetic acid (CID 90095766) is 2-(5-cyclopropyl-2-methyl-1,3-oxazol-4-yl)acetic acid.
What is the SMILES notation for 2-(5-cyclopropyl-2-methyl-1,3-oxazol-4-yl)acetic acid?
The canonical SMILES for 2-(5-cyclopropyl-2-methyl-1,3-oxazol-4-yl)acetic acid is Cc1nc(CC(=O)O)c(C2CC2)o1.
What is the InChIKey of 2-(5-cyclopropyl-2-methyl-1,3-oxazol-4-yl)acetic acid?
The InChIKey is DZNVHZKXAGJZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-5-10-7(4-8(11)12)9(13-5)6-2-3-6/h6H,2-4H2,1H3,(H,11,12).
What are the key properties of 2-(5-cyclopropyl-2-methyl-1,3-oxazol-4-yl)acetic acid?
2-(5-cyclopropyl-2-methyl-1,3-oxazol-4-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-(5-cyclopropyl-2-methyl-1,3-oxazol-4-yl)acetic acid is sourced from PubChem (CID 90095766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).