5-tert-butyl-4-chloro-1,2-oxazol-3-amine

C7H11ClN2O — CID 79555596

IUPAC5-tert-butyl-4-chloro-1,2-oxazol-3-amine
SMILESCC(C)(C)c1onc(N)c1Cl
InChIInChI=1S/C7H11ClN2O/c1-7(2,3)5-4(8)6(9)10-11-5/h1-3H3,(H2,9,10)
InChIKeyXWCIZUXULAZBQR-UHFFFAOYSA-N
MW174.63 g/mol
LogP2.21
Rot. Bonds

About 5-tert-butyl-4-chloro-1,2-oxazol-3-amine

5-tert-butyl-4-chloro-1,2-oxazol-3-amine (PubChem CID 79555596) has the molecular formula C7H11ClN2O and a molecular weight of 174.63 g/mol. Its IUPAC name is 5-tert-butyl-4-chloro-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-tert-butyl-4-chloro-1,2-oxazol-3-amine
PubChem CID79555596
Molecular FormulaC7H11ClN2O
Molecular Weight174.63 g/mol
Exact Mass174.06
IUPAC Name5-tert-butyl-4-chloro-1,2-oxazol-3-amine
SMILESCC(C)(C)c1onc(N)c1Cl
InChIInChI=1S/C7H11ClN2O/c1-7(2,3)5-4(8)6(9)10-11-5/h1-3H3,(H2,9,10)
InChIKeyXWCIZUXULAZBQR-UHFFFAOYSA-N
XLogP2.21
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.63
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Tert-butyl)-4-methylisoxazol-3-amine
CID 14457863
5-Tert-butyl-4-fluoro-isoxazole-3-amine
CID 117703505
5-Tert-butyl-4-chloro-3-fluoro-1,2-oxazole
CID 153510554
4-Chloro-5-(2-fluoro-1-methylcyclopropyl)-1,2-oxazol-3-amine
CID 131223589
3-Isoxazolamine, 5-ethyl-4-methyl-
CID 66200998
4-Chloro-5-cyclopropyl-3-isoxazolamine
CID 79555443
4-Chloro-5-ethyl-1,2-oxazol-3-amine
CID 79556601
4-Chloro-5-(1-methylcyclopropyl)-1,2-oxazol-3-amine
CID 89314239
5-Tert-butyl-3,4-dichloro-1,2-oxazole
CID 153131980
5-Tert-butyl-4-chloro-3-iodo-1,2-oxazole
CID 153510508
3-Bromo-5-tert-butyl-4-chloro-1,2-oxazole
CID 153510531
5-Isopropyl-4-methyl-3-isoxazolamine
CID 14457867

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-chloro-1,2-oxazol-3-amine?
The IUPAC name of 5-tert-butyl-4-chloro-1,2-oxazol-3-amine (CID 79555596) is 5-tert-butyl-4-chloro-1,2-oxazol-3-amine.
What is the SMILES notation for 5-tert-butyl-4-chloro-1,2-oxazol-3-amine?
The canonical SMILES for 5-tert-butyl-4-chloro-1,2-oxazol-3-amine is CC(C)(C)c1onc(N)c1Cl.
What is the InChIKey of 5-tert-butyl-4-chloro-1,2-oxazol-3-amine?
The InChIKey is XWCIZUXULAZBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2O/c1-7(2,3)5-4(8)6(9)10-11-5/h1-3H3,(H2,9,10).
What are the key properties of 5-tert-butyl-4-chloro-1,2-oxazol-3-amine?
5-tert-butyl-4-chloro-1,2-oxazol-3-amine has a molecular weight of 174.63 g/mol, XLogP of 2.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-chloro-1,2-oxazol-3-amine is sourced from PubChem (CID 79555596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).