6-amino-5-[ethyl(furan-2-ylmethyl)amino]-3H-1,3-benzoxazol-2-one

C14H15N3O3 — CID 115425285

IUPAC6-amino-5-[ethyl(furan-2-ylmethyl)amino]-3H-1,3-benzoxazol-2-one
SMILESCCN(Cc1ccco1)c1cc2[nH]c(=O)oc2cc1N
InChIInChI=1S/C14H15N3O3/c1-2-17(8-9-4-3-5-19-9)12-7-11-13(6-10(12)15)20-14(18)16-11/h3-7H,2,8,15H2,1H3,(H,16,18)
InChIKeyWSAHBHTWWMFMIP-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.32
Rot. Bonds4

About 6-amino-5-[ethyl(furan-2-ylmethyl)amino]-3H-1,3-benzoxazol-2-one

6-amino-5-[ethyl(furan-2-ylmethyl)amino]-3H-1,3-benzoxazol-2-one (PubChem CID 115425285) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 6-amino-5-[ethyl(furan-2-ylmethyl)amino]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-amino-5-[ethyl(furan-2-ylmethyl)amino]-3H-1,3-benzoxazol-2-one
PubChem CID115425285
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name6-amino-5-[ethyl(furan-2-ylmethyl)amino]-3H-1,3-benzoxazol-2-one
SMILESCCN(Cc1ccco1)c1cc2[nH]c(=O)oc2cc1N
InChIInChI=1S/C14H15N3O3/c1-2-17(8-9-4-3-5-19-9)12-7-11-13(6-10(12)15)20-14(18)16-11/h3-7H,2,8,15H2,1H3,(H,16,18)
InChIKeyWSAHBHTWWMFMIP-UHFFFAOYSA-N
XLogP2.32
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.32
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-7-[ethyl(furan-2-ylmethyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 61423702
3-amino-4-[ethyl(furan-2-ylmethyl)amino]benzoic acid
CID 61421271
4-amino-3-[ethyl(furan-2-ylmethyl)amino]benzonitrile
CID 104711640
ethyl 5-amino-2-[ethyl(furan-2-ylmethyl)amino]benzoate
CID 61421320
2-N-ethyl-2-N-(furan-2-ylmethyl)-3-methylbenzene-1,2-diamine
CID 113333708
5-bromo-2-[ethyl(furan-2-ylmethyl)amino]benzenecarbothioamide
CID 114891439
4-(aminomethyl)-2-chloro-N-ethyl-N-(furan-2-ylmethyl)aniline
CID 63087512
2-[ethyl(furan-2-ylmethyl)amino]-5-fluorobenzaldehyde
CID 61423708
5-ethoxy-3-N-ethyl-3-N-(furan-2-ylmethyl)benzene-1,3-diamine
CID 80730860
2-[ethyl(furan-2-ylmethyl)amino]-4-methylbenzenecarbothioamide
CID 62302429
5-amino-2-[ethyl(furan-2-ylmethyl)amino]pyridine-4-carboxylic acid
CID 114090156
2-[ethyl(furan-2-ylmethyl)amino]-5-fluorobenzenecarbothioamide
CID 63673700

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[ethyl(furan-2-ylmethyl)amino]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-amino-5-[ethyl(furan-2-ylmethyl)amino]-3H-1,3-benzoxazol-2-one (CID 115425285) is 6-amino-5-[ethyl(furan-2-ylmethyl)amino]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-amino-5-[ethyl(furan-2-ylmethyl)amino]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-amino-5-[ethyl(furan-2-ylmethyl)amino]-3H-1,3-benzoxazol-2-one is CCN(Cc1ccco1)c1cc2[nH]c(=O)oc2cc1N.
What is the InChIKey of 6-amino-5-[ethyl(furan-2-ylmethyl)amino]-3H-1,3-benzoxazol-2-one?
The InChIKey is WSAHBHTWWMFMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-2-17(8-9-4-3-5-19-9)12-7-11-13(6-10(12)15)20-14(18)16-11/h3-7H,2,8,15H2,1H3,(H,16,18).
What are the key properties of 6-amino-5-[ethyl(furan-2-ylmethyl)amino]-3H-1,3-benzoxazol-2-one?
6-amino-5-[ethyl(furan-2-ylmethyl)amino]-3H-1,3-benzoxazol-2-one has a molecular weight of 273.29 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[ethyl(furan-2-ylmethyl)amino]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 115425285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).