4-(2-methyl-6-nitro-1H-indol-3-yl)-1,3-oxazol-2-amine

C12H10N4O3 — CID 82220684

IUPAC4-(2-methyl-6-nitro-1H-indol-3-yl)-1,3-oxazol-2-amine
SMILESCc1[nH]c2cc([N+](=O)[O-])ccc2c1-c1coc(N)n1
InChIInChI=1S/C12H10N4O3/c1-6-11(10-5-19-12(13)15-10)8-3-2-7(16(17)18)4-9(8)14-6/h2-5,14H,1H3,(H2,13,15)
InChIKeyGHHOOSGQBPIVKX-UHFFFAOYSA-N
MW258.24 g/mol
LogP2.62
Rot. Bonds2

About 4-(2-methyl-6-nitro-1H-indol-3-yl)-1,3-oxazol-2-amine

4-(2-methyl-6-nitro-1H-indol-3-yl)-1,3-oxazol-2-amine (PubChem CID 82220684) has the molecular formula C12H10N4O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is 4-(2-methyl-6-nitro-1H-indol-3-yl)-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-(2-methyl-6-nitro-1H-indol-3-yl)-1,3-oxazol-2-amine
PubChem CID82220684
Molecular FormulaC12H10N4O3
Molecular Weight258.24 g/mol
Exact Mass258.08
IUPAC Name4-(2-methyl-6-nitro-1H-indol-3-yl)-1,3-oxazol-2-amine
SMILESCc1[nH]c2cc([N+](=O)[O-])ccc2c1-c1coc(N)n1
InChIInChI=1S/C12H10N4O3/c1-6-11(10-5-19-12(13)15-10)8-3-2-7(16(17)18)4-9(8)14-6/h2-5,14H,1H3,(H2,13,15)
InChIKeyGHHOOSGQBPIVKX-UHFFFAOYSA-N
XLogP2.62
TPSA110.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,4-bis(2-methyl-6-nitro-1H-indol-3-yl)pyrrole-2,5-dione
CID 90957903
2-methyl-7-nitro-1H-quinolin-4-one
CID 10703350
7-nitro-1H-quinazoline-2,4-dione
CID 3398113
ethane;2-methyl-6-nitro-1H-benzimidazole
CID 90798805
ethyl 3-(2-amino-1,3-oxazol-4-yl)-1H-indole-2-carboxylate
CID 82220622
2-methyl-6-nitro-10H-acridin-9-one
CID 154179171
2-methyl-4-(6-nitro-1H-benzimidazol-2-yl)aniline
CID 91686918
7-chloro-4-(2-methyl-5-nitro-1H-indol-3-yl)quinoline
CID 66651928
3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-7-nitro-4-phenyl-1H-quinolin-2-one
CID 7338678
methyl 4-(2-methyl-6-nitro-1H-indol-3-yl)but-2-enoate
CID 72761189
ethyl 7-nitro-9H-pyrido[3,4-b]indole-3-carboxylate
CID 13037306
3-(2-methyl-5-nitrophenyl)-1,2,4-oxadiazol-5-amine
CID 62469803

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-6-nitro-1H-indol-3-yl)-1,3-oxazol-2-amine?
The IUPAC name of 4-(2-methyl-6-nitro-1H-indol-3-yl)-1,3-oxazol-2-amine (CID 82220684) is 4-(2-methyl-6-nitro-1H-indol-3-yl)-1,3-oxazol-2-amine.
What is the SMILES notation for 4-(2-methyl-6-nitro-1H-indol-3-yl)-1,3-oxazol-2-amine?
The canonical SMILES for 4-(2-methyl-6-nitro-1H-indol-3-yl)-1,3-oxazol-2-amine is Cc1[nH]c2cc([N+](=O)[O-])ccc2c1-c1coc(N)n1.
What is the InChIKey of 4-(2-methyl-6-nitro-1H-indol-3-yl)-1,3-oxazol-2-amine?
The InChIKey is GHHOOSGQBPIVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O3/c1-6-11(10-5-19-12(13)15-10)8-3-2-7(16(17)18)4-9(8)14-6/h2-5,14H,1H3,(H2,13,15).
What are the key properties of 4-(2-methyl-6-nitro-1H-indol-3-yl)-1,3-oxazol-2-amine?
4-(2-methyl-6-nitro-1H-indol-3-yl)-1,3-oxazol-2-amine has a molecular weight of 258.24 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-6-nitro-1H-indol-3-yl)-1,3-oxazol-2-amine is sourced from PubChem (CID 82220684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).