1-(2-amino-4-chloro-1,3-oxazol-5-yl)propan-2-one

C6H7ClN2O2 — CID 112712090

IUPAC1-(2-amino-4-chloro-1,3-oxazol-5-yl)propan-2-one
SMILESCC(=O)Cc1oc(N)nc1Cl
InChIInChI=1S/C6H7ClN2O2/c1-3(10)2-4-5(7)9-6(8)11-4/h2H2,1H3,(H2,8,9)
InChIKeyKKVBMDUDBAHMFA-UHFFFAOYSA-N
MW174.59 g/mol
LogP1.04
Rot. Bonds2

About 1-(2-amino-4-chloro-1,3-oxazol-5-yl)propan-2-one

1-(2-amino-4-chloro-1,3-oxazol-5-yl)propan-2-one (PubChem CID 112712090) has the molecular formula C6H7ClN2O2 and a molecular weight of 174.59 g/mol. Its IUPAC name is 1-(2-amino-4-chloro-1,3-oxazol-5-yl)propan-2-one.

Molecular Properties

Compound Name1-(2-amino-4-chloro-1,3-oxazol-5-yl)propan-2-one
PubChem CID112712090
Molecular FormulaC6H7ClN2O2
Molecular Weight174.59 g/mol
Exact Mass174.02
IUPAC Name1-(2-amino-4-chloro-1,3-oxazol-5-yl)propan-2-one
SMILESCC(=O)Cc1oc(N)nc1Cl
InChIInChI=1S/C6H7ClN2O2/c1-3(10)2-4-5(7)9-6(8)11-4/h2H2,1H3,(H2,8,9)
InChIKeyKKVBMDUDBAHMFA-UHFFFAOYSA-N
XLogP1.04
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.59
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-chloro-1,3-oxazol-5-yl)propan-2-one?
The IUPAC name of 1-(2-amino-4-chloro-1,3-oxazol-5-yl)propan-2-one (CID 112712090) is 1-(2-amino-4-chloro-1,3-oxazol-5-yl)propan-2-one.
What is the SMILES notation for 1-(2-amino-4-chloro-1,3-oxazol-5-yl)propan-2-one?
The canonical SMILES for 1-(2-amino-4-chloro-1,3-oxazol-5-yl)propan-2-one is CC(=O)Cc1oc(N)nc1Cl.
What is the InChIKey of 1-(2-amino-4-chloro-1,3-oxazol-5-yl)propan-2-one?
The InChIKey is KKVBMDUDBAHMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O2/c1-3(10)2-4-5(7)9-6(8)11-4/h2H2,1H3,(H2,8,9).
What are the key properties of 1-(2-amino-4-chloro-1,3-oxazol-5-yl)propan-2-one?
1-(2-amino-4-chloro-1,3-oxazol-5-yl)propan-2-one has a molecular weight of 174.59 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-chloro-1,3-oxazol-5-yl)propan-2-one is sourced from PubChem (CID 112712090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).