N-[3-(2-aminoethyl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide

C16H19N3O2 — CID 130333086

IUPACN-[3-(2-aminoethyl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESNCCC1CC(NC(=O)c2cc(-c3ccccc3)on2)C1
InChIInChI=1S/C16H19N3O2/c17-7-6-11-8-13(9-11)18-16(20)14-10-15(21-19-14)12-4-2-1-3-5-12/h1-5,10-11,13H,6-9,17H2,(H,18,20)
InChIKeyNPMIMHIWRJYIHC-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.20
Rot. Bonds5

About N-[3-(2-aminoethyl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[3-(2-aminoethyl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 130333086) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[3-(2-aminoethyl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-aminoethyl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID130333086
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[3-(2-aminoethyl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESNCCC1CC(NC(=O)c2cc(-c3ccccc3)on2)C1
InChIInChI=1S/C16H19N3O2/c17-7-6-11-8-13(9-11)18-16(20)14-10-15(21-19-14)12-4-2-1-3-5-12/h1-5,10-11,13H,6-9,17H2,(H,18,20)
InChIKeyNPMIMHIWRJYIHC-UHFFFAOYSA-N
XLogP2.20
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminocyclobutyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 145123844
N-[3-[amino-[(Z)-1-amino-3-hydroxyprop-1-en-2-yl]amino]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 144981668
N-(1-carbamoylazetidin-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 146022950
N-[3-(difluoromethoxy)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 171470028
N-[3-[5-(1,1-dihydroxythietan-3-yl)-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 118608795
methanol;N-(3-methylcyclobutyl)-5-phenyl-1,2-oxazole-3-carboxamide;1,3,4-thiadiazol-2-ylmethanol
CID 144981674
5-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,2-oxazole-3-carboxamide
CID 5253507
N-[3-[5-[(1S)-1-hydroxyethyl]triazol-1-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 118608781
N-[3-[2-(hydroxymethyl)-1,3-oxazol-5-yl]cyclopentyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 130327566
N-[3-(4-methyltriazol-2-yl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 130327562
N-[3-(benzimidazol-1-yl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 118608760
N-[3-[5-(2,4-dihydroxythietan-3-yl)-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 137423307

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethyl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-(2-aminoethyl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 130333086) is N-[3-(2-aminoethyl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-(2-aminoethyl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-(2-aminoethyl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide is NCCC1CC(NC(=O)c2cc(-c3ccccc3)on2)C1.
What is the InChIKey of N-[3-(2-aminoethyl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is NPMIMHIWRJYIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c17-7-6-11-8-13(9-11)18-16(20)14-10-15(21-19-14)12-4-2-1-3-5-12/h1-5,10-11,13H,6-9,17H2,(H,18,20).
What are the key properties of N-[3-(2-aminoethyl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[3-(2-aminoethyl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethyl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 130333086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).