2-methyl-5H-pyrrolo[2,3-f][1,3]benzoxazol-4-amine

C10H9N3O — CID 96625939

IUPAC2-methyl-5H-pyrrolo[2,3-f][1,3]benzoxazol-4-amine
SMILESCc1nc2c(N)c3[nH]ccc3cc2o1
InChIInChI=1S/C10H9N3O/c1-5-13-10-7(14-5)4-6-2-3-12-9(6)8(10)11/h2-4,12H,11H2,1H3
InChIKeyHMTFAHFNPQERCI-UHFFFAOYSA-N
MW187.20 g/mol
LogP2.20
Rot. Bonds

About 2-methyl-5H-pyrrolo[2,3-f][1,3]benzoxazol-4-amine

2-methyl-5H-pyrrolo[2,3-f][1,3]benzoxazol-4-amine (PubChem CID 96625939) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 2-methyl-5H-pyrrolo[2,3-f][1,3]benzoxazol-4-amine.

Molecular Properties

Compound Name2-methyl-5H-pyrrolo[2,3-f][1,3]benzoxazol-4-amine
PubChem CID96625939
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name2-methyl-5H-pyrrolo[2,3-f][1,3]benzoxazol-4-amine
SMILESCc1nc2c(N)c3[nH]ccc3cc2o1
InChIInChI=1S/C10H9N3O/c1-5-13-10-7(14-5)4-6-2-3-12-9(6)8(10)11/h2-4,12H,11H2,1H3
InChIKeyHMTFAHFNPQERCI-UHFFFAOYSA-N
XLogP2.20
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(benzo[d]oxazol-2-yl)-1-(1H-indol-3-yl)-2-((3-methoxyphenyl)amino)ethanone
CID 71542931
2-[4-(trifluoromethyl)phenyl]-8H-pyrrolo[2,3-e][1,3]benzoxazole
CID 129201799
2-[(5-methoxy-1H-indol-3-yl)methyl]-5-methyl-1,3-oxazole
CID 86273223
N-(2-(1-oxo-1,2,3,4-tetrahydropyrazino[1,2-a]indol-7-yl)benzo[d]oxazol-4-yl)acrylamide
CID 90462295
US10022387, Example 4
CID 122447567
Benzoxazole, 2-(1H-indol-3-ylmethyl)-
CID 3058282
2-phenyl-6H-oxazolo(4,5-e)indole
CID 24052612
15-(Methoxymethyl)-14-(5-methyl-1,2-oxazol-3-yl)-4-propan-2-yl-5-oxa-3,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),3,7,11,13,15-heptaene
CID 10785751
5-Isothiocyanato-6-methyl-2-pyridin-3-yl-1,3-benzoxazole
CID 12781881
US10022387, Example 3
CID 136215265
1-methyl-2-phenyl-6H-pyrrolo[3,2-e][1,3]benzoxazol-1-ium
CID 2324932
6H-oxazolo[4,5-e]indole
CID 11332609

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5H-pyrrolo[2,3-f][1,3]benzoxazol-4-amine?
The IUPAC name of 2-methyl-5H-pyrrolo[2,3-f][1,3]benzoxazol-4-amine (CID 96625939) is 2-methyl-5H-pyrrolo[2,3-f][1,3]benzoxazol-4-amine.
What is the SMILES notation for 2-methyl-5H-pyrrolo[2,3-f][1,3]benzoxazol-4-amine?
The canonical SMILES for 2-methyl-5H-pyrrolo[2,3-f][1,3]benzoxazol-4-amine is Cc1nc2c(N)c3[nH]ccc3cc2o1.
What is the InChIKey of 2-methyl-5H-pyrrolo[2,3-f][1,3]benzoxazol-4-amine?
The InChIKey is HMTFAHFNPQERCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c1-5-13-10-7(14-5)4-6-2-3-12-9(6)8(10)11/h2-4,12H,11H2,1H3.
What are the key properties of 2-methyl-5H-pyrrolo[2,3-f][1,3]benzoxazol-4-amine?
2-methyl-5H-pyrrolo[2,3-f][1,3]benzoxazol-4-amine has a molecular weight of 187.20 g/mol, XLogP of 2.20, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5H-pyrrolo[2,3-f][1,3]benzoxazol-4-amine is sourced from PubChem (CID 96625939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).