3-(4-chlorophenyl)-N-cyclohexyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide

C19H22ClN3O2 — CID 108780445

IUPAC3-(4-chlorophenyl)-N-cyclohexyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide
SMILESO=C(NC1CCCCC1)N1CCc2noc(-c3ccc(Cl)cc3)c2C1
InChIInChI=1S/C19H22ClN3O2/c20-14-8-6-13(7-9-14)18-16-12-23(11-10-17(16)22-25-18)19(24)21-15-4-2-1-3-5-15/h6-9,15H,1-5,10-12H2,(H,21,24)
InChIKeyKERCNXJUSKXOLQ-UHFFFAOYSA-N
MW359.86 g/mol
LogP4.40
Rot. Bonds2

About 3-(4-chlorophenyl)-N-cyclohexyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide

3-(4-chlorophenyl)-N-cyclohexyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 108780445) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-cyclohexyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-cyclohexyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide
PubChem CID108780445
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name3-(4-chlorophenyl)-N-cyclohexyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide
SMILESO=C(NC1CCCCC1)N1CCc2noc(-c3ccc(Cl)cc3)c2C1
InChIInChI=1S/C19H22ClN3O2/c20-14-8-6-13(7-9-14)18-16-12-23(11-10-17(16)22-25-18)19(24)21-15-4-2-1-3-5-15/h6-9,15H,1-5,10-12H2,(H,21,24)
InChIKeyKERCNXJUSKXOLQ-UHFFFAOYSA-N
XLogP4.40
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-cyclohexyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-cyclohexyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide (CID 108780445) is 3-(4-chlorophenyl)-N-cyclohexyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-cyclohexyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-cyclohexyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide is O=C(NC1CCCCC1)N1CCc2noc(-c3ccc(Cl)cc3)c2C1.
What is the InChIKey of 3-(4-chlorophenyl)-N-cyclohexyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is KERCNXJUSKXOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c20-14-8-6-13(7-9-14)18-16-12-23(11-10-17(16)22-25-18)19(24)21-15-4-2-1-3-5-15/h6-9,15H,1-5,10-12H2,(H,21,24).
What are the key properties of 3-(4-chlorophenyl)-N-cyclohexyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide?
3-(4-chlorophenyl)-N-cyclohexyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 359.86 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-cyclohexyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 108780445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).