2-[(2-ethylimidazol-1-yl)methyl]-1,3-benzoxazol-5-amine

C13H14N4O — CID 79964489

IUPAC2-[(2-ethylimidazol-1-yl)methyl]-1,3-benzoxazol-5-amine
SMILESCCc1nccn1Cc1nc2cc(N)ccc2o1
InChIInChI=1S/C13H14N4O/c1-2-12-15-5-6-17(12)8-13-16-10-7-9(14)3-4-11(10)18-13/h3-7H,2,8,14H2,1H3
InChIKeyRIQOCXWKSDKGKX-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.22
Rot. Bonds3

About 2-[(2-ethylimidazol-1-yl)methyl]-1,3-benzoxazol-5-amine

2-[(2-ethylimidazol-1-yl)methyl]-1,3-benzoxazol-5-amine (PubChem CID 79964489) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-[(2-ethylimidazol-1-yl)methyl]-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-[(2-ethylimidazol-1-yl)methyl]-1,3-benzoxazol-5-amine
PubChem CID79964489
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name2-[(2-ethylimidazol-1-yl)methyl]-1,3-benzoxazol-5-amine
SMILESCCc1nccn1Cc1nc2cc(N)ccc2o1
InChIInChI=1S/C13H14N4O/c1-2-12-15-5-6-17(12)8-13-16-10-7-9(14)3-4-11(10)18-13/h3-7H,2,8,14H2,1H3
InChIKeyRIQOCXWKSDKGKX-UHFFFAOYSA-N
XLogP2.22
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.22
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-[(5-methylindol-1-yl)methyl]-1,3-benzoxazol-5-amine
CID 79960177
2-[(3-methylpyrazol-1-yl)methyl]-1,3-benzoxazol-5-amine
CID 79973306
1-[(5-amino-1,3-benzoxazol-2-yl)methyl]pyrimidine-2,4-dione
CID 79964658
2-[(2-ethylimidazol-1-yl)methyl]-4,5-dimethyl-1,3-oxazole
CID 63811626
3-[(5-amino-1,3-benzoxazol-2-yl)methyl]-5-bromo-6-methylpyrimidin-4-one
CID 79972147
2-(azocan-1-ylmethyl)-1,3-benzoxazol-5-amine
CID 79964558
3-[(2-ethylimidazol-1-yl)methyl]-4-methoxyaniline
CID 61402513
2-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-1,3-benzoxazol-5-amine
CID 79964659
2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-benzoxazol-5-amine
CID 114462412
3-[(5-amino-1,3-benzoxazol-2-yl)sulfanyl]-1-ethylpyrazin-2-one
CID 62929743
4-[(5-amino-1,3-benzoxazol-2-yl)methyl]-3-methylpiperazin-2-one
CID 79964822
2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-1,3-benzoxazol-5-amine
CID 79959773

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylimidazol-1-yl)methyl]-1,3-benzoxazol-5-amine?
The IUPAC name of 2-[(2-ethylimidazol-1-yl)methyl]-1,3-benzoxazol-5-amine (CID 79964489) is 2-[(2-ethylimidazol-1-yl)methyl]-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-[(2-ethylimidazol-1-yl)methyl]-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-[(2-ethylimidazol-1-yl)methyl]-1,3-benzoxazol-5-amine is CCc1nccn1Cc1nc2cc(N)ccc2o1.
What is the InChIKey of 2-[(2-ethylimidazol-1-yl)methyl]-1,3-benzoxazol-5-amine?
The InChIKey is RIQOCXWKSDKGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-2-12-15-5-6-17(12)8-13-16-10-7-9(14)3-4-11(10)18-13/h3-7H,2,8,14H2,1H3.
What are the key properties of 2-[(2-ethylimidazol-1-yl)methyl]-1,3-benzoxazol-5-amine?
2-[(2-ethylimidazol-1-yl)methyl]-1,3-benzoxazol-5-amine has a molecular weight of 242.28 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylimidazol-1-yl)methyl]-1,3-benzoxazol-5-amine is sourced from PubChem (CID 79964489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).