2-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-benzoxazol-4-amine

C14H15N3O2 — CID 79996145

IUPAC2-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-benzoxazol-4-amine
SMILESCN(Cc1ccoc1)Cc1nc2c(N)cccc2o1
InChIInChI=1S/C14H15N3O2/c1-17(7-10-5-6-18-9-10)8-13-16-14-11(15)3-2-4-12(14)19-13/h2-6,9H,7-8,15H2,1H3
InChIKeyRDYJBVCQQOUZIV-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.63
Rot. Bonds4

About 2-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-benzoxazol-4-amine

2-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-benzoxazol-4-amine (PubChem CID 79996145) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-benzoxazol-4-amine.

Molecular Properties

Compound Name2-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-benzoxazol-4-amine
PubChem CID79996145
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-benzoxazol-4-amine
SMILESCN(Cc1ccoc1)Cc1nc2c(N)cccc2o1
InChIInChI=1S/C14H15N3O2/c1-17(7-10-5-6-18-9-10)8-13-16-14-11(15)3-2-4-12(14)19-13/h2-6,9H,7-8,15H2,1H3
InChIKeyRDYJBVCQQOUZIV-UHFFFAOYSA-N
XLogP2.63
TPSA68.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Phenyl-1,3-benzoxazol-6-amine
CID 762546
2-Methyl-1,3-benzoxazol-6-amine
CID 590539
1,3-Benzoxazol-4-amine
CID 1482202
N-(2-phenyl-1,3-benzoxazol-6-yl)acetamide
CID 1084683
US20230295140, Example 17
CID 156778574
US20230295140, Example 20
CID 156778626
US20230295140, Example 44
CID 162496683
2-Methyl-1,3-benzoxazol-4-amine
CID 10606897
5-ethyl-6-methyl-3-[(4-nitro-1,3-benzoxazol-2-yl)methylamino]-1H-pyridin-2-one
CID 454416
3-[[(4-Aminobenzoxazol-2-yl)methyl]amino]-5-ethyl-6-methylpyridin-2(1H)-one
CID 454417
N-(2-phenyl-1,3-benzoxazol-6-yl)furan-2-carboxamide
CID 645452
2-Ethyl-1,3-benzoxazol-4-amine
CID 12071589

Frequently Asked Questions

What is the IUPAC name of 2-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-benzoxazol-4-amine?
The IUPAC name of 2-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-benzoxazol-4-amine (CID 79996145) is 2-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-benzoxazol-4-amine.
What is the SMILES notation for 2-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-benzoxazol-4-amine?
The canonical SMILES for 2-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-benzoxazol-4-amine is CN(Cc1ccoc1)Cc1nc2c(N)cccc2o1.
What is the InChIKey of 2-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-benzoxazol-4-amine?
The InChIKey is RDYJBVCQQOUZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-17(7-10-5-6-18-9-10)8-13-16-14-11(15)3-2-4-12(14)19-13/h2-6,9H,7-8,15H2,1H3.
What are the key properties of 2-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-benzoxazol-4-amine?
2-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-benzoxazol-4-amine has a molecular weight of 257.29 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-benzoxazol-4-amine is sourced from PubChem (CID 79996145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).