N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide

C17H17N5O3 — CID 120859066

IUPACN-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESNC1(c2noc(CNC(=O)c3cc(-c4ccccc4)on3)n2)CCC1
InChIInChI=1S/C17H17N5O3/c18-17(7-4-8-17)16-20-14(25-22-16)10-19-15(23)12-9-13(24-21-12)11-5-2-1-3-6-11/h1-3,5-6,9H,4,7-8,10,18H2,(H,19,23)
InChIKeyKQHSXGLELRUGQG-UHFFFAOYSA-N
MW339.35 g/mol
LogP1.99
Rot. Bonds5

About N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 120859066) has the molecular formula C17H17N5O3 and a molecular weight of 339.35 g/mol. Its IUPAC name is N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID120859066
Molecular FormulaC17H17N5O3
Molecular Weight339.35 g/mol
Exact Mass339.13
IUPAC NameN-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESNC1(c2noc(CNC(=O)c3cc(-c4ccccc4)on3)n2)CCC1
InChIInChI=1S/C17H17N5O3/c18-17(7-4-8-17)16-20-14(25-22-16)10-19-15(23)12-9-13(24-21-12)11-5-2-1-3-6-11/h1-3,5-6,9H,4,7-8,10,18H2,(H,19,23)
InChIKeyKQHSXGLELRUGQG-UHFFFAOYSA-N
XLogP1.99
TPSA120.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide;hydrochloride
CID 120855723
1-[[(5-phenyl-1,2-oxazole-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544037
N-[(4-hydroxythian-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 111486579
N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide;hydrochloride
CID 120864337
N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxybenzamide
CID 120850243
1-[5-[2-(5-phenyl-1,3-oxazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860259
N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 95718758
N-(furan-2-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 973870
N-(cyclobutylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 33379552
N-[(4-hydroxyoxan-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 71788624
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 121137865
N-[(1-aminocyclobutyl)methyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 155820442

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 120859066) is N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide is NC1(c2noc(CNC(=O)c3cc(-c4ccccc4)on3)n2)CCC1.
What is the InChIKey of N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is KQHSXGLELRUGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c18-17(7-4-8-17)16-20-14(25-22-16)10-19-15(23)12-9-13(24-21-12)11-5-2-1-3-6-11/h1-3,5-6,9H,4,7-8,10,18H2,(H,19,23).
What are the key properties of N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 339.35 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 120859066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).