5-(chloromethyl)-4-cyclopropyl-2-propan-2-yl-1,3-oxazole

C10H14ClNO — CID 131062594

IUPAC5-(chloromethyl)-4-cyclopropyl-2-propan-2-yl-1,3-oxazole
SMILESCC(C)c1nc(C2CC2)c(CCl)o1
InChIInChI=1S/C10H14ClNO/c1-6(2)10-12-9(7-3-4-7)8(5-11)13-10/h6-7H,3-5H2,1-2H3
InChIKeyDFEGGKOBVHWXAG-UHFFFAOYSA-N
MW199.68 g/mol
LogP3.41
Rot. Bonds3

About 5-(chloromethyl)-4-cyclopropyl-2-propan-2-yl-1,3-oxazole

5-(chloromethyl)-4-cyclopropyl-2-propan-2-yl-1,3-oxazole (PubChem CID 131062594) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 5-(chloromethyl)-4-cyclopropyl-2-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name5-(chloromethyl)-4-cyclopropyl-2-propan-2-yl-1,3-oxazole
PubChem CID131062594
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name5-(chloromethyl)-4-cyclopropyl-2-propan-2-yl-1,3-oxazole
SMILESCC(C)c1nc(C2CC2)c(CCl)o1
InChIInChI=1S/C10H14ClNO/c1-6(2)10-12-9(7-3-4-7)8(5-11)13-10/h6-7H,3-5H2,1-2H3
InChIKeyDFEGGKOBVHWXAG-UHFFFAOYSA-N
XLogP3.41
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-cyclopropyl-2-propan-2-yl-1,3-oxazole-5-carboxylic acid
CID 82400587
5-(chloromethyl)-2-cyclopropyl-4-ethyl-1,3-oxazole
CID 130952213
2-(2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazol-4-yl)ethanamine
CID 83884013
(7-cyclopropyl-2-propan-2-yl-1,3-benzoxazol-5-yl)methanamine
CID 166557495
4-cyclopropyl-2-(1-methylsulfonylethyl)-1,3-oxazole-5-carboxylic acid
CID 114374240
6-cyclopropyl-5-iodo-2-propan-2-ylpyrimidin-4-amine
CID 66303993
7-(chloromethyl)-6-cyclopropyl-1-(2-methylpropyl)imidazo[1,2-b]pyrazole
CID 121215247
(4-cyclohexyl-5-propan-2-yl-1,3-oxazol-2-yl)methanamine
CID 105479719
2-(cyclopropylmethyl)-5-propan-2-yl-1,3,4-oxadiazole
CID 130703721
5-(chloromethyl)-4-(difluoromethyl)-2-(2-fluoro-1-methylcyclopropyl)-1,3-oxazole
CID 131002480
1-butan-2-yl-5-chloro-4-(chloromethyl)-3-cyclopropylpyrazole
CID 63353989
6-cyclopropyl-N-ethyl-5-iodo-2-propan-2-ylpyrimidin-4-amine
CID 66301966

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-4-cyclopropyl-2-propan-2-yl-1,3-oxazole?
The IUPAC name of 5-(chloromethyl)-4-cyclopropyl-2-propan-2-yl-1,3-oxazole (CID 131062594) is 5-(chloromethyl)-4-cyclopropyl-2-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 5-(chloromethyl)-4-cyclopropyl-2-propan-2-yl-1,3-oxazole?
The canonical SMILES for 5-(chloromethyl)-4-cyclopropyl-2-propan-2-yl-1,3-oxazole is CC(C)c1nc(C2CC2)c(CCl)o1.
What is the InChIKey of 5-(chloromethyl)-4-cyclopropyl-2-propan-2-yl-1,3-oxazole?
The InChIKey is DFEGGKOBVHWXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-6(2)10-12-9(7-3-4-7)8(5-11)13-10/h6-7H,3-5H2,1-2H3.
What are the key properties of 5-(chloromethyl)-4-cyclopropyl-2-propan-2-yl-1,3-oxazole?
5-(chloromethyl)-4-cyclopropyl-2-propan-2-yl-1,3-oxazole has a molecular weight of 199.68 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-4-cyclopropyl-2-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 131062594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).