5-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-amine

C19H18ClN5O — CID 134805995

IUPAC5-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-amine
SMILESCc1noc2c(NCCCn3ccnc3)cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C19H18ClN5O/c1-13-18-19(26-24-13)17(22-7-2-9-25-10-8-21-12-25)11-16(23-18)14-3-5-15(20)6-4-14/h3-6,8,10-12H,2,7,9H2,1H3,(H,22,23)
InChIKeyUHMOKKLKLIRMNS-UHFFFAOYSA-N
MW367.84 g/mol
LogP4.55
Rot. Bonds6

About 5-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-amine

5-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-amine (PubChem CID 134805995) has the molecular formula C19H18ClN5O and a molecular weight of 367.84 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-amine
PubChem CID134805995
Molecular FormulaC19H18ClN5O
Molecular Weight367.84 g/mol
Exact Mass367.12
IUPAC Name5-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-amine
SMILESCc1noc2c(NCCCn3ccnc3)cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C19H18ClN5O/c1-13-18-19(26-24-13)17(22-7-2-9-25-10-8-21-12-25)11-16(23-18)14-3-5-15(20)6-4-14/h3-6,8,10-12H,2,7,9H2,1H3,(H,22,23)
InChIKeyUHMOKKLKLIRMNS-UHFFFAOYSA-N
XLogP4.55
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-amine?
The IUPAC name of 5-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-amine (CID 134805995) is 5-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for 5-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-amine is Cc1noc2c(NCCCn3ccnc3)cc(-c3ccc(Cl)cc3)nc12.
What is the InChIKey of 5-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-amine?
The InChIKey is UHMOKKLKLIRMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O/c1-13-18-19(26-24-13)17(22-7-2-9-25-10-8-21-12-25)11-16(23-18)14-3-5-15(20)6-4-14/h3-6,8,10-12H,2,7,9H2,1H3,(H,22,23).
What are the key properties of 5-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-amine?
5-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-amine has a molecular weight of 367.84 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-3-methyl-[1,2]oxazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 134805995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).