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

C7H9ClN2O — CID 89314239

IUPAC4-chloro-5-(1-methylcyclopropyl)-1,2-oxazol-3-amine
SMILESCC1(c2onc(N)c2Cl)CC1
InChIInChI=1S/C7H9ClN2O/c1-7(2-3-7)5-4(8)6(9)10-11-5/h2-3H2,1H3,(H2,9,10)
InChIKeyKQQQDRDCOBNWKB-UHFFFAOYSA-N
MW172.62 g/mol
LogP1.96
Rot. Bonds1

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

4-chloro-5-(1-methylcyclopropyl)-1,2-oxazol-3-amine (PubChem CID 89314239) has the molecular formula C7H9ClN2O and a molecular weight of 172.62 g/mol. Its IUPAC name is 4-chloro-5-(1-methylcyclopropyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-chloro-5-(1-methylcyclopropyl)-1,2-oxazol-3-amine
PubChem CID89314239
Molecular FormulaC7H9ClN2O
Molecular Weight172.62 g/mol
Exact Mass172.04
IUPAC Name4-chloro-5-(1-methylcyclopropyl)-1,2-oxazol-3-amine
SMILESCC1(c2onc(N)c2Cl)CC1
InChIInChI=1S/C7H9ClN2O/c1-7(2-3-7)5-4(8)6(9)10-11-5/h2-3H2,1H3,(H2,9,10)
InChIKeyKQQQDRDCOBNWKB-UHFFFAOYSA-N
XLogP1.96
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.62
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(1-methylcyclopropyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-chloro-5-(1-methylcyclopropyl)-1,2-oxazol-3-amine (CID 89314239) is 4-chloro-5-(1-methylcyclopropyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-chloro-5-(1-methylcyclopropyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-chloro-5-(1-methylcyclopropyl)-1,2-oxazol-3-amine is CC1(c2onc(N)c2Cl)CC1.
What is the InChIKey of 4-chloro-5-(1-methylcyclopropyl)-1,2-oxazol-3-amine?
The InChIKey is KQQQDRDCOBNWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O/c1-7(2-3-7)5-4(8)6(9)10-11-5/h2-3H2,1H3,(H2,9,10).
What are the key properties of 4-chloro-5-(1-methylcyclopropyl)-1,2-oxazol-3-amine?
4-chloro-5-(1-methylcyclopropyl)-1,2-oxazol-3-amine has a molecular weight of 172.62 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(1-methylcyclopropyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 89314239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).