1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-(2-oxoazepan-3-yl)piperidine-4-carboxamide

C19H25N5O3 — CID 154567726

IUPAC1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-(2-oxoazepan-3-yl)piperidine-4-carboxamide
SMILESCc1ccc2oc(N3CCC(C(=O)NC4CCCCNC4=O)CC3)nc2n1
InChIInChI=1S/C19H25N5O3/c1-12-5-6-15-16(21-12)23-19(27-15)24-10-7-13(8-11-24)17(25)22-14-4-2-3-9-20-18(14)26/h5-6,13-14H,2-4,7-11H2,1H3,(H,20,26)(H,22,25)
InChIKeySITZZNUTTKKMGE-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.53
Rot. Bonds3

About 1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-(2-oxoazepan-3-yl)piperidine-4-carboxamide

1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-(2-oxoazepan-3-yl)piperidine-4-carboxamide (PubChem CID 154567726) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-(2-oxoazepan-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-(2-oxoazepan-3-yl)piperidine-4-carboxamide
PubChem CID154567726
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-(2-oxoazepan-3-yl)piperidine-4-carboxamide
SMILESCc1ccc2oc(N3CCC(C(=O)NC4CCCCNC4=O)CC3)nc2n1
InChIInChI=1S/C19H25N5O3/c1-12-5-6-15-16(21-12)23-19(27-15)24-10-7-13(8-11-24)17(25)22-14-4-2-3-9-20-18(14)26/h5-6,13-14H,2-4,7-11H2,1H3,(H,20,26)(H,22,25)
InChIKeySITZZNUTTKKMGE-UHFFFAOYSA-N
XLogP1.53
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-(2-oxoazepan-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-(2-oxoazepan-3-yl)piperidine-4-carboxamide (CID 154567726) is 1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-(2-oxoazepan-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-(2-oxoazepan-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-(2-oxoazepan-3-yl)piperidine-4-carboxamide is Cc1ccc2oc(N3CCC(C(=O)NC4CCCCNC4=O)CC3)nc2n1.
What is the InChIKey of 1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-(2-oxoazepan-3-yl)piperidine-4-carboxamide?
The InChIKey is SITZZNUTTKKMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-12-5-6-15-16(21-12)23-19(27-15)24-10-7-13(8-11-24)17(25)22-14-4-2-3-9-20-18(14)26/h5-6,13-14H,2-4,7-11H2,1H3,(H,20,26)(H,22,25).
What are the key properties of 1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-(2-oxoazepan-3-yl)piperidine-4-carboxamide?
1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-(2-oxoazepan-3-yl)piperidine-4-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-(2-oxoazepan-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 154567726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).