N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

C15H18N4O3 — CID 91797220

IUPACN-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)NC(Cc1ccccn1)C1CC(O)C1
InChIInChI=1S/C15H18N4O3/c1-9-14(19-22-18-9)15(21)17-13(10-6-12(20)7-10)8-11-4-2-3-5-16-11/h2-5,10,12-13,20H,6-8H2,1H3,(H,17,21)
InChIKeyPIHRYNIBKXDPKB-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.89
Rot. Bonds5

About N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 91797220) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
PubChem CID91797220
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC NameN-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)NC(Cc1ccccn1)C1CC(O)C1
InChIInChI=1S/C15H18N4O3/c1-9-14(19-22-18-9)15(21)17-13(10-6-12(20)7-10)8-11-4-2-3-5-16-11/h2-5,10,12-13,20H,6-8H2,1H3,(H,17,21)
InChIKeyPIHRYNIBKXDPKB-UHFFFAOYSA-N
XLogP0.89
TPSA101.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-5-methyl-1H-imidazole-2-carboxamide
CID 91784792
N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-1H-pyrazole-4-carboxamide
CID 91789615
N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 91788033
N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 91775415
N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 91762352
5-chloro-N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-methoxybenzamide
CID 91785265
2-(2,3-difluorophenyl)-N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]acetamide
CID 91770411
N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 91788138
2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]acetamide
CID 91786823
N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-indol-1-ylacetamide
CID 91767745
4-methyl-N-pyridin-2-yl-1,2,5-oxadiazole-3-carboxamide
CID 110692016
4-methyl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]-1,2,5-oxadiazole-3-carboxamide
CID 91763372

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (CID 91797220) is N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is Cc1nonc1C(=O)NC(Cc1ccccn1)C1CC(O)C1.
What is the InChIKey of N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is PIHRYNIBKXDPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-9-14(19-22-18-9)15(21)17-13(10-6-12(20)7-10)8-11-4-2-3-5-16-11/h2-5,10,12-13,20H,6-8H2,1H3,(H,17,21).
What are the key properties of N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 91797220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).