(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl 5-chloro-2,3-dihydroindole-1-carboxylate

C16H15ClN4O5 — CID 69481242

IUPAC(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl 5-chloro-2,3-dihydroindole-1-carboxylate
SMILESCC1(COC(=O)N2CCc3cc(Cl)ccc32)Cn2cc([N+](=O)[O-])nc2O1
InChIInChI=1S/C16H15ClN4O5/c1-16(8-19-7-13(21(23)24)18-14(19)26-16)9-25-15(22)20-5-4-10-6-11(17)2-3-12(10)20/h2-3,6-7H,4-5,8-9H2,1H3
InChIKeyNDCBGUDYKVSZEL-UHFFFAOYSA-N
MW378.77 g/mol
LogP2.80
Rot. Bonds3

About (2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl 5-chloro-2,3-dihydroindole-1-carboxylate

(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl 5-chloro-2,3-dihydroindole-1-carboxylate (PubChem CID 69481242) has the molecular formula C16H15ClN4O5 and a molecular weight of 378.77 g/mol. Its IUPAC name is (2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl 5-chloro-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Name(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl 5-chloro-2,3-dihydroindole-1-carboxylate
PubChem CID69481242
Molecular FormulaC16H15ClN4O5
Molecular Weight378.77 g/mol
Exact Mass378.07
IUPAC Name(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl 5-chloro-2,3-dihydroindole-1-carboxylate
SMILESCC1(COC(=O)N2CCc3cc(Cl)ccc32)Cn2cc([N+](=O)[O-])nc2O1
InChIInChI=1S/C16H15ClN4O5/c1-16(8-19-7-13(21(23)24)18-14(19)26-16)9-25-15(22)20-5-4-10-6-11(17)2-3-12(10)20/h2-3,6-7H,4-5,8-9H2,1H3
InChIKeyNDCBGUDYKVSZEL-UHFFFAOYSA-N
XLogP2.80
TPSA99.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.77
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of (2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl 5-chloro-2,3-dihydroindole-1-carboxylate?
The IUPAC name of (2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl 5-chloro-2,3-dihydroindole-1-carboxylate (CID 69481242) is (2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl 5-chloro-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for (2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl 5-chloro-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for (2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl 5-chloro-2,3-dihydroindole-1-carboxylate is CC1(COC(=O)N2CCc3cc(Cl)ccc32)Cn2cc([N+](=O)[O-])nc2O1.
What is the InChIKey of (2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl 5-chloro-2,3-dihydroindole-1-carboxylate?
The InChIKey is NDCBGUDYKVSZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O5/c1-16(8-19-7-13(21(23)24)18-14(19)26-16)9-25-15(22)20-5-4-10-6-11(17)2-3-12(10)20/h2-3,6-7H,4-5,8-9H2,1H3.
What are the key properties of (2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl 5-chloro-2,3-dihydroindole-1-carboxylate?
(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl 5-chloro-2,3-dihydroindole-1-carboxylate has a molecular weight of 378.77 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl 5-chloro-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 69481242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).