methyl 2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxylate

C9H11NO3 — CID 130703206

IUPACmethyl 2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxylate
SMILESCOC(=O)c1oc(C2CC2)nc1C
InChIInChI=1S/C9H11NO3/c1-5-7(9(11)12-2)13-8(10-5)6-3-4-6/h6H,3-4H2,1-2H3
InChIKeyYPLUOMCEAUJOGP-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.65
Rot. Bonds2

About methyl 2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxylate

methyl 2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxylate (PubChem CID 130703206) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is methyl 2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxylate
PubChem CID130703206
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Namemethyl 2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxylate
SMILESCOC(=O)c1oc(C2CC2)nc1C
InChIInChI=1S/C9H11NO3/c1-5-7(9(11)12-2)13-8(10-5)6-3-4-6/h6H,3-4H2,1-2H3
InChIKeyYPLUOMCEAUJOGP-UHFFFAOYSA-N
XLogP1.65
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-methyl-2-piperidin-4-yl-1,3-oxazole-5-carboxylate
CID 178200025
methyl 5-bromo-2-cyclopropyl-1,3-oxazole-4-carboxylate
CID 67453288
methyl 2-cyclooctyl-4-propyl-1,3-oxazole-5-carboxylate
CID 114371262
7-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]heptanoic acid
CID 120524103
3-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]butanoic acid
CID 120522817
N-[(1-carbamoylcyclopentyl)methyl]-2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxamide
CID 166212342
2,4-dicyclopropyl-1,3-oxazole-5-carboxylic acid
CID 114374227
2-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-methylamino]-2-methylpropanoic acid
CID 120518882
3-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]-2-phenylpropanoic acid
CID 120528887
1-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 120530085
[(2S)-2-cyclohexylazepan-1-yl]-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)methanone
CID 124862592
1-(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 120513204

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxylate?
The IUPAC name of methyl 2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxylate (CID 130703206) is methyl 2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxylate.
What is the SMILES notation for methyl 2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxylate?
The canonical SMILES for methyl 2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxylate is COC(=O)c1oc(C2CC2)nc1C.
What is the InChIKey of methyl 2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxylate?
The InChIKey is YPLUOMCEAUJOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-5-7(9(11)12-2)13-8(10-5)6-3-4-6/h6H,3-4H2,1-2H3.
What are the key properties of methyl 2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxylate?
methyl 2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxylate has a molecular weight of 181.19 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 130703206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).