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

C22H24N4O2 — CID 171150648

IUPAC1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-(3-phenylprop-2-enyl)piperidine-4-carboxamide
SMILESCc1ccc2oc(N3CCC(C(=O)NCC=Cc4ccccc4)CC3)nc2n1
InChIInChI=1S/C22H24N4O2/c1-16-9-10-19-20(24-16)25-22(28-19)26-14-11-18(12-15-26)21(27)23-13-5-8-17-6-3-2-4-7-17/h2-10,18H,11-15H2,1H3,(H,23,27)
InChIKeyOYVZEXLVUBUYBG-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.58
Rot. Bonds5

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

1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-(3-phenylprop-2-enyl)piperidine-4-carboxamide (PubChem CID 171150648) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-(3-phenylprop-2-enyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-(3-phenylprop-2-enyl)piperidine-4-carboxamide
PubChem CID171150648
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-(3-phenylprop-2-enyl)piperidine-4-carboxamide
SMILESCc1ccc2oc(N3CCC(C(=O)NCC=Cc4ccccc4)CC3)nc2n1
InChIInChI=1S/C22H24N4O2/c1-16-9-10-19-20(24-16)25-22(28-19)26-14-11-18(12-15-26)21(27)23-13-5-8-17-6-3-2-4-7-17/h2-10,18H,11-15H2,1H3,(H,23,27)
InChIKeyOYVZEXLVUBUYBG-UHFFFAOYSA-N
XLogP3.58
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carboxamide
CID 154564469
N-(1,1-dioxothian-4-yl)-1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carboxamide
CID 154823090
(2S)-6-amino-2-[[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carbonyl]amino]hexanoic acid
CID 154815776
1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
CID 154564689
[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 155491863
[3-(hydroxymethyl)piperidin-1-yl]-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanone
CID 154565637
1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-(2-oxoazepan-3-yl)piperidine-4-carboxamide
CID 154567726
N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carboxamide
CID 155493965
tert-butyl 4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazine-1-carboxylate
CID 175653793
1-(1,3-benzoxazol-2-yl)-N-(2,2-diphenylpropyl)piperidine-4-carboxamide
CID 24584539
1-(1,3-benzoxazol-2-yl)-N-[2-(ethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 18145860
1-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carbonyl]piperidine-3-carbonitrile
CID 155914374

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-(3-phenylprop-2-enyl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-(3-phenylprop-2-enyl)piperidine-4-carboxamide (CID 171150648) is 1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-(3-phenylprop-2-enyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-(3-phenylprop-2-enyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-(3-phenylprop-2-enyl)piperidine-4-carboxamide is Cc1ccc2oc(N3CCC(C(=O)NCC=Cc4ccccc4)CC3)nc2n1.
What is the InChIKey of 1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-(3-phenylprop-2-enyl)piperidine-4-carboxamide?
The InChIKey is OYVZEXLVUBUYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-16-9-10-19-20(24-16)25-22(28-19)26-14-11-18(12-15-26)21(27)23-13-5-8-17-6-3-2-4-7-17/h2-10,18H,11-15H2,1H3,(H,23,27).
What are the key properties of 1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-(3-phenylprop-2-enyl)piperidine-4-carboxamide?
1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-(3-phenylprop-2-enyl)piperidine-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 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-(3-phenylprop-2-enyl)piperidine-4-carboxamide is sourced from PubChem (CID 171150648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).