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

C13H19N3O3 — CID 82948933

IUPAC6-amino-5-[2-methoxyethyl(propan-2-yl)amino]-3H-1,3-benzoxazol-2-one
SMILESCOCCN(c1cc2[nH]c(=O)oc2cc1N)C(C)C
InChIInChI=1S/C13H19N3O3/c1-8(2)16(4-5-18-3)11-7-10-12(6-9(11)14)19-13(17)15-10/h6-8H,4-5,14H2,1-3H3,(H,15,17)
InChIKeyHXVYUQKBVNXBSY-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.56
Rot. Bonds5

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

6-amino-5-[2-methoxyethyl(propan-2-yl)amino]-3H-1,3-benzoxazol-2-one (PubChem CID 82948933) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 6-amino-5-[2-methoxyethyl(propan-2-yl)amino]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-amino-5-[2-methoxyethyl(propan-2-yl)amino]-3H-1,3-benzoxazol-2-one
PubChem CID82948933
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name6-amino-5-[2-methoxyethyl(propan-2-yl)amino]-3H-1,3-benzoxazol-2-one
SMILESCOCCN(c1cc2[nH]c(=O)oc2cc1N)C(C)C
InChIInChI=1S/C13H19N3O3/c1-8(2)16(4-5-18-3)11-7-10-12(6-9(11)14)19-13(17)15-10/h6-8H,4-5,14H2,1-3H3,(H,15,17)
InChIKeyHXVYUQKBVNXBSY-UHFFFAOYSA-N
XLogP1.56
TPSA84.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.56
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-[butan-2-yl(ethyl)amino]-3H-1,3-benzoxazol-2-one
CID 113307371
6-amino-5-[cyclopropyl(2-methoxyethyl)amino]-3H-1,3-benzoxazol-2-one
CID 115425313
6-amino-5-(3-methoxypropoxy)-3H-1,3-benzoxazol-2-one
CID 113307464
3-[(6-amino-2-oxo-3H-1,3-benzoxazol-5-yl)-methylamino]-2-methylpropanenitrile
CID 115425404
6-amino-5-[cyclopentyl(methyl)amino]-3H-1,3-benzoxazol-2-one
CID 115425161
6-amino-5-(3-methylbutoxy)-3H-1,3-benzoxazol-2-one
CID 113307460
5,6-bis(2-methoxyethoxy)-3H-1,3-benzoxazol-2-one
CID 141490122
6-amino-5-[(3-hydroxy-4-methoxybutyl)amino]-3H-1,3-benzoxazol-2-one
CID 106243226
6-amino-5-[cyclopentyl(2-hydroxyethyl)amino]-3H-1,3-benzoxazol-2-one
CID 115425410
6-amino-5-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-3H-1,3-benzoxazol-2-one
CID 115425365
6-amino-5-(hexan-2-ylamino)-3H-1,3-benzoxazol-2-one
CID 113307409
2-chloro-4-N-(2-methoxyethyl)-5-methyl-4-N-propan-2-ylbenzene-1,4-diamine
CID 82949127

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-methoxyethyl(propan-2-yl)amino]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-amino-5-[2-methoxyethyl(propan-2-yl)amino]-3H-1,3-benzoxazol-2-one (CID 82948933) is 6-amino-5-[2-methoxyethyl(propan-2-yl)amino]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-amino-5-[2-methoxyethyl(propan-2-yl)amino]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-amino-5-[2-methoxyethyl(propan-2-yl)amino]-3H-1,3-benzoxazol-2-one is COCCN(c1cc2[nH]c(=O)oc2cc1N)C(C)C.
What is the InChIKey of 6-amino-5-[2-methoxyethyl(propan-2-yl)amino]-3H-1,3-benzoxazol-2-one?
The InChIKey is HXVYUQKBVNXBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8(2)16(4-5-18-3)11-7-10-12(6-9(11)14)19-13(17)15-10/h6-8H,4-5,14H2,1-3H3,(H,15,17).
What are the key properties of 6-amino-5-[2-methoxyethyl(propan-2-yl)amino]-3H-1,3-benzoxazol-2-one?
6-amino-5-[2-methoxyethyl(propan-2-yl)amino]-3H-1,3-benzoxazol-2-one has a molecular weight of 265.31 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-methoxyethyl(propan-2-yl)amino]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 82948933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).