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

C14H14N4O3 — CID 146022950

IUPACN-(1-carbamoylazetidin-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESNC(=O)N1CC(NC(=O)c2cc(-c3ccccc3)on2)C1
InChIInChI=1S/C14H14N4O3/c15-14(20)18-7-10(8-18)16-13(19)11-6-12(21-17-11)9-4-2-1-3-5-9/h1-6,10H,7-8H2,(H2,15,20)(H,16,19)
InChIKeyZGDDSDAWUMGQBI-UHFFFAOYSA-N
MW286.29 g/mol
LogP0.83
Rot. Bonds3

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

N-(1-carbamoylazetidin-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 146022950) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-(1-carbamoylazetidin-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-carbamoylazetidin-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID146022950
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC NameN-(1-carbamoylazetidin-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESNC(=O)N1CC(NC(=O)c2cc(-c3ccccc3)on2)C1
InChIInChI=1S/C14H14N4O3/c15-14(20)18-7-10(8-18)16-13(19)11-6-12(21-17-11)9-4-2-1-3-5-9/h1-6,10H,7-8H2,(H2,15,20)(H,16,19)
InChIKeyZGDDSDAWUMGQBI-UHFFFAOYSA-N
XLogP0.83
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 50.83
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
5-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,2-oxazole-3-carboxamide
CID 5253507
N-[3-(2-aminoethyl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 130333086
N-[3-(difluoromethoxy)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 171470028
N-[(3S)-1-benzylpyrrolidin-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 95145261
N-[3-[5-(1,1-dihydroxythietan-3-yl)-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 118608795
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 79410077
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 70787525
N-[3-[4-(1-hydroxyethyl)-1,2-dihydrotriazol-2-ium-3-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 163640174
N-[2-(hydroxymethyl)cyclopentyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 103751269
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

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamoylazetidin-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1-carbamoylazetidin-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide (CID 146022950) is N-(1-carbamoylazetidin-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1-carbamoylazetidin-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1-carbamoylazetidin-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide is NC(=O)N1CC(NC(=O)c2cc(-c3ccccc3)on2)C1.
What is the InChIKey of N-(1-carbamoylazetidin-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is ZGDDSDAWUMGQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c15-14(20)18-7-10(8-18)16-13(19)11-6-12(21-17-11)9-4-2-1-3-5-9/h1-6,10H,7-8H2,(H2,15,20)(H,16,19).
What are the key properties of N-(1-carbamoylazetidin-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide?
N-(1-carbamoylazetidin-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 286.29 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamoylazetidin-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 146022950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).