3-chloro-5-(2-methylpropyl)-1,2-oxazol-4-amine

C7H11ClN2O — CID 105435952

IUPAC3-chloro-5-(2-methylpropyl)-1,2-oxazol-4-amine
SMILESCC(C)Cc1onc(Cl)c1N
InChIInChI=1S/C7H11ClN2O/c1-4(2)3-5-6(9)7(8)10-11-5/h4H,3,9H2,1-2H3
InChIKeyJCABGFRKUFJTAZ-UHFFFAOYSA-N
MW174.63 g/mol
LogP2.11
Rot. Bonds2

About 3-chloro-5-(2-methylpropyl)-1,2-oxazol-4-amine

3-chloro-5-(2-methylpropyl)-1,2-oxazol-4-amine (PubChem CID 105435952) has the molecular formula C7H11ClN2O and a molecular weight of 174.63 g/mol. Its IUPAC name is 3-chloro-5-(2-methylpropyl)-1,2-oxazol-4-amine.

Molecular Properties

Compound Name3-chloro-5-(2-methylpropyl)-1,2-oxazol-4-amine
PubChem CID105435952
Molecular FormulaC7H11ClN2O
Molecular Weight174.63 g/mol
Exact Mass174.06
IUPAC Name3-chloro-5-(2-methylpropyl)-1,2-oxazol-4-amine
SMILESCC(C)Cc1onc(Cl)c1N
InChIInChI=1S/C7H11ClN2O/c1-4(2)3-5-6(9)7(8)10-11-5/h4H,3,9H2,1-2H3
InChIKeyJCABGFRKUFJTAZ-UHFFFAOYSA-N
XLogP2.11
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.63
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-(2-methylpropyl)-1,2-oxazol-4-amine
CID 105473444
4-(4-chlorophenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine
CID 66198932
4-(2,6-dichlorophenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine
CID 66206819
5-tert-butyl-3-chloro-1,2-oxazol-4-amine
CID 82411326
4-(4-methylphenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine
CID 66199671
3-(2-methylpropyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole
CID 83845862
4-amino-5-(2-methylpropyl)-1,3-dioxol-2-one
CID 163848084
5-(2-methylpropyl)-3-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid
CID 106821235
5-(2-methylpropyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 80523942
5-methyl-4-(2-methylpropyl)-1,2-oxazol-3-amine
CID 66199654
4-(2-methylpropyl)-5-octyl-1,2-oxazol-3-amine
CID 66199050
3-bromo-4-(2-methylpropyl)-1,2-oxazol-5-amine
CID 105473442

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2-methylpropyl)-1,2-oxazol-4-amine?
The IUPAC name of 3-chloro-5-(2-methylpropyl)-1,2-oxazol-4-amine (CID 105435952) is 3-chloro-5-(2-methylpropyl)-1,2-oxazol-4-amine.
What is the SMILES notation for 3-chloro-5-(2-methylpropyl)-1,2-oxazol-4-amine?
The canonical SMILES for 3-chloro-5-(2-methylpropyl)-1,2-oxazol-4-amine is CC(C)Cc1onc(Cl)c1N.
What is the InChIKey of 3-chloro-5-(2-methylpropyl)-1,2-oxazol-4-amine?
The InChIKey is JCABGFRKUFJTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2O/c1-4(2)3-5-6(9)7(8)10-11-5/h4H,3,9H2,1-2H3.
What are the key properties of 3-chloro-5-(2-methylpropyl)-1,2-oxazol-4-amine?
3-chloro-5-(2-methylpropyl)-1,2-oxazol-4-amine has a molecular weight of 174.63 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2-methylpropyl)-1,2-oxazol-4-amine is sourced from PubChem (CID 105435952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).