5-(1-aminocyclopropyl)-3-methyl-1,3-benzoxazol-2-one

C11H12N2O2 — CID 117292543

IUPAC5-(1-aminocyclopropyl)-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2ccc(C3(N)CC3)cc21
InChIInChI=1S/C11H12N2O2/c1-13-8-6-7(11(12)4-5-11)2-3-9(8)15-10(13)14/h2-3,6H,4-5,12H2,1H3
InChIKeyXPCWSTZXPZGICV-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.08
Rot. Bonds1

About 5-(1-aminocyclopropyl)-3-methyl-1,3-benzoxazol-2-one

5-(1-aminocyclopropyl)-3-methyl-1,3-benzoxazol-2-one (PubChem CID 117292543) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 5-(1-aminocyclopropyl)-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-(1-aminocyclopropyl)-3-methyl-1,3-benzoxazol-2-one
PubChem CID117292543
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name5-(1-aminocyclopropyl)-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2ccc(C3(N)CC3)cc21
InChIInChI=1S/C11H12N2O2/c1-13-8-6-7(11(12)4-5-11)2-3-9(8)15-10(13)14/h2-3,6H,4-5,12H2,1H3
InChIKeyXPCWSTZXPZGICV-UHFFFAOYSA-N
XLogP1.08
TPSA61.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-(3-sulfanyloxetan-3-yl)-1,3-benzoxazol-2-one
CID 116872920
5-(3-chlorooxetan-3-yl)-3-methyl-1,3-benzoxazol-2-one
CID 116876549
3-methyl-5-[3-(methylamino)oxetan-3-yl]-1,3-benzoxazol-2-one
CID 116872807
1-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)cyclobutane-1-carboxylic acid
CID 117369870
5-[3-(chloromethyl)oxetan-3-yl]-3-methyl-1,3-benzoxazol-2-one
CID 116871449
3,5-dimethyl-1,3-benzoxazol-2-one
CID 13117589
3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)oxetane-3-carboxamide
CID 116876214
3,5-dimethyl-1,3-benzoxazol-2-one;methane
CID 160664134
5-[amino(hydroxy)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 116939680
3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 82491054
5-[amino(bromo)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 116947662
5-(dimethylamino)-3-methyl-1,3-benzoxazol-2-one
CID 117043635

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminocyclopropyl)-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 5-(1-aminocyclopropyl)-3-methyl-1,3-benzoxazol-2-one (CID 117292543) is 5-(1-aminocyclopropyl)-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-(1-aminocyclopropyl)-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 5-(1-aminocyclopropyl)-3-methyl-1,3-benzoxazol-2-one is Cn1c(=O)oc2ccc(C3(N)CC3)cc21.
What is the InChIKey of 5-(1-aminocyclopropyl)-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is XPCWSTZXPZGICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-13-8-6-7(11(12)4-5-11)2-3-9(8)15-10(13)14/h2-3,6H,4-5,12H2,1H3.
What are the key properties of 5-(1-aminocyclopropyl)-3-methyl-1,3-benzoxazol-2-one?
5-(1-aminocyclopropyl)-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 204.23 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminocyclopropyl)-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 117292543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).