6-amino-5-[cyclopropyl(2-methoxyethyl)amino]-3H-1,3-benzoxazol-2-one

C13H17N3O3 — CID 115425313

IUPAC6-amino-5-[cyclopropyl(2-methoxyethyl)amino]-3H-1,3-benzoxazol-2-one
SMILESCOCCN(c1cc2[nH]c(=O)oc2cc1N)C1CC1
InChIInChI=1S/C13H17N3O3/c1-18-5-4-16(8-2-3-8)11-7-10-12(6-9(11)14)19-13(17)15-10/h6-8H,2-5,14H2,1H3,(H,15,17)
InChIKeyWGFSVJXOFJYHJG-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.32
Rot. Bonds5

About 6-amino-5-[cyclopropyl(2-methoxyethyl)amino]-3H-1,3-benzoxazol-2-one

6-amino-5-[cyclopropyl(2-methoxyethyl)amino]-3H-1,3-benzoxazol-2-one (PubChem CID 115425313) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 6-amino-5-[cyclopropyl(2-methoxyethyl)amino]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-amino-5-[cyclopropyl(2-methoxyethyl)amino]-3H-1,3-benzoxazol-2-one
PubChem CID115425313
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name6-amino-5-[cyclopropyl(2-methoxyethyl)amino]-3H-1,3-benzoxazol-2-one
SMILESCOCCN(c1cc2[nH]c(=O)oc2cc1N)C1CC1
InChIInChI=1S/C13H17N3O3/c1-18-5-4-16(8-2-3-8)11-7-10-12(6-9(11)14)19-13(17)15-10/h6-8H,2-5,14H2,1H3,(H,15,17)
InChIKeyWGFSVJXOFJYHJG-UHFFFAOYSA-N
XLogP1.32
TPSA84.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-amino-5-[cyclopentyl(2-hydroxyethyl)amino]-3H-1,3-benzoxazol-2-one
CID 115425410
6-amino-5-[2-methoxyethyl(propan-2-yl)amino]-3H-1,3-benzoxazol-2-one
CID 82948933
6-amino-5-[cyclopentyl(methyl)amino]-3H-1,3-benzoxazol-2-one
CID 115425161
6-amino-5-(2-methoxyethoxy)-3H-1,3-benzoxazol-2-one
CID 115425894
4-bromo-2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine
CID 65343179
4-chloro-2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine
CID 115468738
2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine
CID 61453395
6-amino-5-[butan-2-yl(ethyl)amino]-3H-1,3-benzoxazol-2-one
CID 113307371
methyl 4-amino-3-[cyclopropyl(2-methoxyethyl)amino]benzoate
CID 82785230
5,6-bis(2-methoxyethoxy)-3H-1,3-benzoxazol-2-one
CID 141490122
6-amino-5-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-3H-1,3-benzoxazol-2-one
CID 106250680
3-[(6-amino-2-oxo-3H-1,3-benzoxazol-5-yl)-methylamino]-2-methylpropanenitrile
CID 115425404

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[cyclopropyl(2-methoxyethyl)amino]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-amino-5-[cyclopropyl(2-methoxyethyl)amino]-3H-1,3-benzoxazol-2-one (CID 115425313) is 6-amino-5-[cyclopropyl(2-methoxyethyl)amino]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-amino-5-[cyclopropyl(2-methoxyethyl)amino]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-amino-5-[cyclopropyl(2-methoxyethyl)amino]-3H-1,3-benzoxazol-2-one is COCCN(c1cc2[nH]c(=O)oc2cc1N)C1CC1.
What is the InChIKey of 6-amino-5-[cyclopropyl(2-methoxyethyl)amino]-3H-1,3-benzoxazol-2-one?
The InChIKey is WGFSVJXOFJYHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-18-5-4-16(8-2-3-8)11-7-10-12(6-9(11)14)19-13(17)15-10/h6-8H,2-5,14H2,1H3,(H,15,17).
What are the key properties of 6-amino-5-[cyclopropyl(2-methoxyethyl)amino]-3H-1,3-benzoxazol-2-one?
6-amino-5-[cyclopropyl(2-methoxyethyl)amino]-3H-1,3-benzoxazol-2-one has a molecular weight of 263.30 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[cyclopropyl(2-methoxyethyl)amino]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 115425313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).