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

C7H9ClN2O2 — CID 105443368

IUPAC3-chloro-4-(oxolan-3-yl)-1,2-oxazol-5-amine
SMILESNc1onc(Cl)c1C1CCOC1
InChIInChI=1S/C7H9ClN2O2/c8-6-5(7(9)12-10-6)4-1-2-11-3-4/h4H,1-3,9H2
InChIKeyNMGZIVREIBNLBH-UHFFFAOYSA-N
MW188.61 g/mol
LogP1.41
Rot. Bonds1

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

3-chloro-4-(oxolan-3-yl)-1,2-oxazol-5-amine (PubChem CID 105443368) has the molecular formula C7H9ClN2O2 and a molecular weight of 188.61 g/mol. Its IUPAC name is 3-chloro-4-(oxolan-3-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-chloro-4-(oxolan-3-yl)-1,2-oxazol-5-amine
PubChem CID105443368
Molecular FormulaC7H9ClN2O2
Molecular Weight188.61 g/mol
Exact Mass188.04
IUPAC Name3-chloro-4-(oxolan-3-yl)-1,2-oxazol-5-amine
SMILESNc1onc(Cl)c1C1CCOC1
InChIInChI=1S/C7H9ClN2O2/c8-6-5(7(9)12-10-6)4-1-2-11-3-4/h4H,1-3,9H2
InChIKeyNMGZIVREIBNLBH-UHFFFAOYSA-N
XLogP1.41
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.61
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-cyclopropyl-1,2-oxazol-5-amine
CID 105431108
5-amino-4-(oxan-4-yl)-1,2-oxazole-3-carboxylic acid
CID 84678934
3-chloro-4-(1,1-dioxothiolan-2-yl)-1,2-oxazol-5-amine
CID 105498371
methyl 3-amino-5-(oxolan-3-yl)-1,2-oxazole-4-carboxylate
CID 105465745
[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61324587
3-(oxan-3-yl)-4-phenyl-1,2-oxazol-5-amine
CID 63015258
5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
CID 65330662
4-(3,4-dichlorophenyl)-3-(oxan-3-yl)-1,2-oxazol-5-amine
CID 63013669
5-[(3S)-oxolan-3-yl]-1,3,4-thiadiazol-2-amine
CID 94191622
2-amino-6-(oxolan-3-yl)-1H-1,3,5-triazine-4-thione
CID 83241763
5-(oxolan-3-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 63382908
4-(3-chlorophenyl)-3-(oxan-3-yl)-1,2-oxazol-5-amine
CID 55150697

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(oxolan-3-yl)-1,2-oxazol-5-amine?
The IUPAC name of 3-chloro-4-(oxolan-3-yl)-1,2-oxazol-5-amine (CID 105443368) is 3-chloro-4-(oxolan-3-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-chloro-4-(oxolan-3-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-chloro-4-(oxolan-3-yl)-1,2-oxazol-5-amine is Nc1onc(Cl)c1C1CCOC1.
What is the InChIKey of 3-chloro-4-(oxolan-3-yl)-1,2-oxazol-5-amine?
The InChIKey is NMGZIVREIBNLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2/c8-6-5(7(9)12-10-6)4-1-2-11-3-4/h4H,1-3,9H2.
What are the key properties of 3-chloro-4-(oxolan-3-yl)-1,2-oxazol-5-amine?
3-chloro-4-(oxolan-3-yl)-1,2-oxazol-5-amine has a molecular weight of 188.61 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(oxolan-3-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 105443368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).