5-(chloromethyl)-4-methyl-2-(1-methylcyclopentyl)-1,3-oxazole

C11H16ClNO — CID 130856161

IUPAC5-(chloromethyl)-4-methyl-2-(1-methylcyclopentyl)-1,3-oxazole
SMILESCc1nc(C2(C)CCCC2)oc1CCl
InChIInChI=1S/C11H16ClNO/c1-8-9(7-12)14-10(13-8)11(2)5-3-4-6-11/h3-7H2,1-2H3
InChIKeyYJZPJFRHBGMPPW-UHFFFAOYSA-N
MW213.71 g/mol
LogP3.55
Rot. Bonds2

About 5-(chloromethyl)-4-methyl-2-(1-methylcyclopentyl)-1,3-oxazole

5-(chloromethyl)-4-methyl-2-(1-methylcyclopentyl)-1,3-oxazole (PubChem CID 130856161) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 5-(chloromethyl)-4-methyl-2-(1-methylcyclopentyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(chloromethyl)-4-methyl-2-(1-methylcyclopentyl)-1,3-oxazole
PubChem CID130856161
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name5-(chloromethyl)-4-methyl-2-(1-methylcyclopentyl)-1,3-oxazole
SMILESCc1nc(C2(C)CCCC2)oc1CCl
InChIInChI=1S/C11H16ClNO/c1-8-9(7-12)14-10(13-8)11(2)5-3-4-6-11/h3-7H2,1-2H3
InChIKeyYJZPJFRHBGMPPW-UHFFFAOYSA-N
XLogP3.55
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 53.55
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

4,5-dimethyl-2-(1-methylcyclohexyl)-1,3-oxazole
CID 141167685
2-[4-methyl-2-(4-methyloxan-4-yl)-1,3-oxazol-5-yl]acetic acid
CID 115043031
2-chloro-4-[[4-methyl-2-(1-methylcyclohexyl)-1,3-oxazol-5-yl]methoxy]benzonitrile
CID 59295428
2-chloro-N'-methoxy-4-[[4-methyl-2-(1-methylcyclohexyl)-1,3-oxazol-5-yl]methoxy]benzenecarboximidamide
CID 143433843
3-[2-chloro-4-[[4-methyl-2-(1-methylcyclohexyl)-1,3-oxazol-5-yl]methoxy]phenyl]-4H-1,2,4-oxadiazol-5-one
CID 135524127
5-(chloromethyl)-4-methyl-2-(2-methylpropyl)-1,3-oxazole
CID 131081482
2-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 106828748
3-(1-chloroethyl)-5-(1-methylcyclopentyl)-1,2,4-oxadiazole
CID 102661074
4-methyl-2-(4-methylthian-4-yl)-1,3-oxazole-5-carbaldehyde
CID 115035108
5-(chloromethyl)-2-(4-chlorophenyl)-4-methyl-1,3-oxazole
CID 14801704
5-(chloromethyl)-4-(difluoromethyl)-2-(2-fluoro-1-methylcyclopropyl)-1,3-oxazole
CID 131002480
3-(1-chloropropyl)-5-(1-methylcyclohexyl)-1,2,4-oxadiazole
CID 106827745

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-4-methyl-2-(1-methylcyclopentyl)-1,3-oxazole?
The IUPAC name of 5-(chloromethyl)-4-methyl-2-(1-methylcyclopentyl)-1,3-oxazole (CID 130856161) is 5-(chloromethyl)-4-methyl-2-(1-methylcyclopentyl)-1,3-oxazole.
What is the SMILES notation for 5-(chloromethyl)-4-methyl-2-(1-methylcyclopentyl)-1,3-oxazole?
The canonical SMILES for 5-(chloromethyl)-4-methyl-2-(1-methylcyclopentyl)-1,3-oxazole is Cc1nc(C2(C)CCCC2)oc1CCl.
What is the InChIKey of 5-(chloromethyl)-4-methyl-2-(1-methylcyclopentyl)-1,3-oxazole?
The InChIKey is YJZPJFRHBGMPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-8-9(7-12)14-10(13-8)11(2)5-3-4-6-11/h3-7H2,1-2H3.
What are the key properties of 5-(chloromethyl)-4-methyl-2-(1-methylcyclopentyl)-1,3-oxazole?
5-(chloromethyl)-4-methyl-2-(1-methylcyclopentyl)-1,3-oxazole has a molecular weight of 213.71 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-4-methyl-2-(1-methylcyclopentyl)-1,3-oxazole is sourced from PubChem (CID 130856161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).