(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methylazanium

C9H11N2O2+ — CID 143272906

IUPAC(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methylazanium
SMILESCn1c(=O)oc2ccc(C[NH3+])cc21
InChIInChI=1S/C9H10N2O2/c1-11-7-4-6(5-10)2-3-8(7)13-9(11)12/h2-4H,5,10H2,1H3/p+1
InChIKeyIHFCXBBSRKHLQX-UHFFFAOYSA-O
MW179.20 g/mol
LogP-0.13
Rot. Bonds1

About (3-methyl-2-oxo-1,3-benzoxazol-5-yl)methylazanium

(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methylazanium (PubChem CID 143272906) has the molecular formula C9H11N2O2+ and a molecular weight of 179.20 g/mol. Its IUPAC name is (3-methyl-2-oxo-1,3-benzoxazol-5-yl)methylazanium.

Molecular Properties

Compound Name(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methylazanium
PubChem CID143272906
Molecular FormulaC9H11N2O2+
Molecular Weight179.20 g/mol
Exact Mass179.08
IUPAC Name(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methylazanium
SMILESCn1c(=O)oc2ccc(C[NH3+])cc21
InChIInChI=1S/C9H10N2O2/c1-11-7-4-6(5-10)2-3-8(7)13-9(11)12/h2-4H,5,10H2,1H3/p+1
InChIKeyIHFCXBBSRKHLQX-UHFFFAOYSA-O
XLogP-0.13
TPSA62.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-chloropropyl)-3-methyl-1,3-benzoxazol-2-one
CID 116926676
3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanoic acid
CID 82494222
5-[[bromomethyl(methyl)amino]methyl]-3-methyl-1,3-benzoxazol-2-one
CID 115262110
5-[(2-aminoethylamino)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 115195345
3-methyl-5-[2-(methylaminomethylamino)ethyl]-1,3-benzoxazol-2-one
CID 115227229
N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]ethanesulfonamide
CID 110786920
2,2-dimethyl-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanoic acid
CID 117375661
3,5-dimethyl-1,3-benzoxazol-2-one
CID 13117589
3-methyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]butanenitrile
CID 116931742
1-methyl-1-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]urea
CID 115168436
N-methyl-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]carbamoyl bromide
CID 115193812
3-methyl-5-[[methyl(methylaminomethyl)amino]methyl]-1,3-benzoxazol-2-one
CID 115227065

Frequently Asked Questions

What is the IUPAC name of (3-methyl-2-oxo-1,3-benzoxazol-5-yl)methylazanium?
The IUPAC name of (3-methyl-2-oxo-1,3-benzoxazol-5-yl)methylazanium (CID 143272906) is (3-methyl-2-oxo-1,3-benzoxazol-5-yl)methylazanium.
What is the SMILES notation for (3-methyl-2-oxo-1,3-benzoxazol-5-yl)methylazanium?
The canonical SMILES for (3-methyl-2-oxo-1,3-benzoxazol-5-yl)methylazanium is Cn1c(=O)oc2ccc(C[NH3+])cc21.
What is the InChIKey of (3-methyl-2-oxo-1,3-benzoxazol-5-yl)methylazanium?
The InChIKey is IHFCXBBSRKHLQX-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H10N2O2/c1-11-7-4-6(5-10)2-3-8(7)13-9(11)12/h2-4H,5,10H2,1H3/p+1.
What are the key properties of (3-methyl-2-oxo-1,3-benzoxazol-5-yl)methylazanium?
(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methylazanium has a molecular weight of 179.20 g/mol, XLogP of -0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2-oxo-1,3-benzoxazol-5-yl)methylazanium is sourced from PubChem (CID 143272906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).