2-[(3-chlorophenyl)methyl]-6-methyl-N-(2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine

C21H25ClN4O — CID 10340020

IUPAC2-[(3-chlorophenyl)methyl]-6-methyl-N-(2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine
SMILESCc1cc2oc(Cc3cccc(Cl)c3)nc2c(NCCC2CCCCN2)n1
InChIInChI=1S/C21H25ClN4O/c1-14-11-18-20(21(25-14)24-10-8-17-7-2-3-9-23-17)26-19(27-18)13-15-5-4-6-16(22)12-15/h4-6,11-12,17,23H,2-3,7-10,13H2,1H3,(H,24,25)
InChIKeyDKOQLRVNWZHTGN-UHFFFAOYSA-N
MW384.91 g/mol
LogP4.72
Rot. Bonds6

About 2-[(3-chlorophenyl)methyl]-6-methyl-N-(2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine

2-[(3-chlorophenyl)methyl]-6-methyl-N-(2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine (PubChem CID 10340020) has the molecular formula C21H25ClN4O and a molecular weight of 384.91 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-6-methyl-N-(2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-6-methyl-N-(2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine
PubChem CID10340020
Molecular FormulaC21H25ClN4O
Molecular Weight384.91 g/mol
Exact Mass384.17
IUPAC Name2-[(3-chlorophenyl)methyl]-6-methyl-N-(2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine
SMILESCc1cc2oc(Cc3cccc(Cl)c3)nc2c(NCCC2CCCCN2)n1
InChIInChI=1S/C21H25ClN4O/c1-14-11-18-20(21(25-14)24-10-8-17-7-2-3-9-23-17)26-19(27-18)13-15-5-4-6-16(22)12-15/h4-6,11-12,17,23H,2-3,7-10,13H2,1H3,(H,24,25)
InChIKeyDKOQLRVNWZHTGN-UHFFFAOYSA-N
XLogP4.72
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-6-methyl-N-(2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-6-methyl-N-(2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine (CID 10340020) is 2-[(3-chlorophenyl)methyl]-6-methyl-N-(2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-6-methyl-N-(2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-6-methyl-N-(2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine is Cc1cc2oc(Cc3cccc(Cl)c3)nc2c(NCCC2CCCCN2)n1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-6-methyl-N-(2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine?
The InChIKey is DKOQLRVNWZHTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O/c1-14-11-18-20(21(25-14)24-10-8-17-7-2-3-9-23-17)26-19(27-18)13-15-5-4-6-16(22)12-15/h4-6,11-12,17,23H,2-3,7-10,13H2,1H3,(H,24,25).
What are the key properties of 2-[(3-chlorophenyl)methyl]-6-methyl-N-(2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine?
2-[(3-chlorophenyl)methyl]-6-methyl-N-(2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine has a molecular weight of 384.91 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-6-methyl-N-(2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 10340020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).