3-ethyl-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

C22H27N5O2 — CID 102558109

IUPAC3-ethyl-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCCc1noc2ncc(C(=O)NC(C)CN3CCN(c4ccccc4)CC3)cc12
InChIInChI=1S/C22H27N5O2/c1-3-20-19-13-17(14-23-22(19)29-25-20)21(28)24-16(2)15-26-9-11-27(12-10-26)18-7-5-4-6-8-18/h4-8,13-14,16H,3,9-12,15H2,1-2H3,(H,24,28)
InChIKeyUURHISBHOVQAFL-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.73
Rot. Bonds6

About 3-ethyl-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

3-ethyl-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 102558109) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 3-ethyl-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
PubChem CID102558109
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name3-ethyl-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCCc1noc2ncc(C(=O)NC(C)CN3CCN(c4ccccc4)CC3)cc12
InChIInChI=1S/C22H27N5O2/c1-3-20-19-13-17(14-23-22(19)29-25-20)21(28)24-16(2)15-26-9-11-27(12-10-26)18-7-5-4-6-8-18/h4-8,13-14,16H,3,9-12,15H2,1-2H3,(H,24,28)
InChIKeyUURHISBHOVQAFL-UHFFFAOYSA-N
XLogP2.73
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of 3-ethyl-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (CID 102558109) is 3-ethyl-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 3-ethyl-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for 3-ethyl-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is CCc1noc2ncc(C(=O)NC(C)CN3CCN(c4ccccc4)CC3)cc12.
What is the InChIKey of 3-ethyl-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is UURHISBHOVQAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-3-20-19-13-17(14-23-22(19)29-25-20)21(28)24-16(2)15-26-9-11-27(12-10-26)18-7-5-4-6-8-18/h4-8,13-14,16H,3,9-12,15H2,1-2H3,(H,24,28).
What are the key properties of 3-ethyl-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
3-ethyl-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 102558109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).