N-(3-aminocyclobutyl)-5-phenyl-1,2-oxazole-3-carboxamide

C14H15N3O2 — CID 145123844

IUPACN-(3-aminocyclobutyl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESNC1CC(NC(=O)c2cc(-c3ccccc3)on2)C1
InChIInChI=1S/C14H15N3O2/c15-10-6-11(7-10)16-14(18)12-8-13(19-17-12)9-4-2-1-3-5-9/h1-5,8,10-11H,6-7,15H2,(H,16,18)
InChIKeyCXFKJDDZGIELIT-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.56
Rot. Bonds3

About N-(3-aminocyclobutyl)-5-phenyl-1,2-oxazole-3-carboxamide

N-(3-aminocyclobutyl)-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 145123844) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-(3-aminocyclobutyl)-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminocyclobutyl)-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID145123844
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-(3-aminocyclobutyl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESNC1CC(NC(=O)c2cc(-c3ccccc3)on2)C1
InChIInChI=1S/C14H15N3O2/c15-10-6-11(7-10)16-14(18)12-8-13(19-17-12)9-4-2-1-3-5-9/h1-5,8,10-11H,6-7,15H2,(H,16,18)
InChIKeyCXFKJDDZGIELIT-UHFFFAOYSA-N
XLogP1.56
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-aminoethyl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 130333086
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
5-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,2-oxazole-3-carboxamide
CID 5253507
N-[3-[amino-[(Z)-1-amino-3-hydroxyprop-1-en-2-yl]amino]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 144981668
N-[3-(benzimidazol-1-yl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 118608760
N-[3-(4-methyltriazol-2-yl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 130327562
N-[3-(3-oxomorpholin-4-yl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 118615452
N-[3-[5-(2,4-dihydroxythietan-3-yl)-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 137423307
N-[3-[5-[(1S)-1-hydroxyethyl]pyrazol-1-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 118608880
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 70787525

Frequently Asked Questions

What is the IUPAC name of N-(3-aminocyclobutyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-aminocyclobutyl)-5-phenyl-1,2-oxazole-3-carboxamide (CID 145123844) is N-(3-aminocyclobutyl)-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-aminocyclobutyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-aminocyclobutyl)-5-phenyl-1,2-oxazole-3-carboxamide is NC1CC(NC(=O)c2cc(-c3ccccc3)on2)C1.
What is the InChIKey of N-(3-aminocyclobutyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is CXFKJDDZGIELIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c15-10-6-11(7-10)16-14(18)12-8-13(19-17-12)9-4-2-1-3-5-9/h1-5,8,10-11H,6-7,15H2,(H,16,18).
What are the key properties of N-(3-aminocyclobutyl)-5-phenyl-1,2-oxazole-3-carboxamide?
N-(3-aminocyclobutyl)-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminocyclobutyl)-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 145123844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).