3-chloro-4-cyclopropyl-1,2-oxazol-5-amine

C6H7ClN2O — CID 105431108

IUPAC3-chloro-4-cyclopropyl-1,2-oxazol-5-amine
SMILESNc1onc(Cl)c1C1CC1
InChIInChI=1S/C6H7ClN2O/c7-5-4(3-1-2-3)6(8)10-9-5/h3H,1-2,8H2
InChIKeyHFLVEYFARALNBW-UHFFFAOYSA-N
MW158.59 g/mol
LogP1.79
Rot. Bonds1

About 3-chloro-4-cyclopropyl-1,2-oxazol-5-amine

3-chloro-4-cyclopropyl-1,2-oxazol-5-amine (PubChem CID 105431108) has the molecular formula C6H7ClN2O and a molecular weight of 158.59 g/mol. Its IUPAC name is 3-chloro-4-cyclopropyl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-chloro-4-cyclopropyl-1,2-oxazol-5-amine
PubChem CID105431108
Molecular FormulaC6H7ClN2O
Molecular Weight158.59 g/mol
Exact Mass158.02
IUPAC Name3-chloro-4-cyclopropyl-1,2-oxazol-5-amine
SMILESNc1onc(Cl)c1C1CC1
InChIInChI=1S/C6H7ClN2O/c7-5-4(3-1-2-3)6(8)10-9-5/h3H,1-2,8H2
InChIKeyHFLVEYFARALNBW-UHFFFAOYSA-N
XLogP1.79
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.59
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-(oxolan-3-yl)-1,2-oxazol-5-amine
CID 105443368
3-chloro-4-(1,1-dioxothiolan-2-yl)-1,2-oxazol-5-amine
CID 105498371
3,4-dicyclohexyl-1,2-oxazol-5-amine
CID 101405411
5-amino-4-(oxan-4-yl)-1,2-oxazole-3-carboxylic acid
CID 84678934
methyl 5-amino-4-cyclopentyl-1,2-oxazole-3-carboxylate
CID 105463948
4,6-dichloro-2,5-dicyclopropylpyrimidine
CID 118990185
3-amino-6-chloro-4-cyclopropyl-5-methylpyridine-2-carboxylic acid
CID 174666918
3-methyl-4-(thian-3-yl)-1,2-oxazol-5-amine
CID 105451723
5-cyclopropyl-4,6-dimethylpyrimidin-2-amine;ethane
CID 176919561
4-bromo-3-cyclopentyl-1,2-oxazol-5-amine
CID 83911607
6-cyclopropyl-2,1-benzoxazol-3-amine
CID 166607767
6-(4-chlorophenyl)-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine
CID 139771016

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-cyclopropyl-1,2-oxazol-5-amine?
The IUPAC name of 3-chloro-4-cyclopropyl-1,2-oxazol-5-amine (CID 105431108) is 3-chloro-4-cyclopropyl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-chloro-4-cyclopropyl-1,2-oxazol-5-amine?
The canonical SMILES for 3-chloro-4-cyclopropyl-1,2-oxazol-5-amine is Nc1onc(Cl)c1C1CC1.
What is the InChIKey of 3-chloro-4-cyclopropyl-1,2-oxazol-5-amine?
The InChIKey is HFLVEYFARALNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O/c7-5-4(3-1-2-3)6(8)10-9-5/h3H,1-2,8H2.
What are the key properties of 3-chloro-4-cyclopropyl-1,2-oxazol-5-amine?
3-chloro-4-cyclopropyl-1,2-oxazol-5-amine has a molecular weight of 158.59 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-cyclopropyl-1,2-oxazol-5-amine is sourced from PubChem (CID 105431108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).