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

C17H14N4O4 — CID 163891805

IUPACN-[3-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]cyclobutylidene]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(N=C1CC(c2nnc(CO)o2)C1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C17H14N4O4/c22-9-15-19-20-17(24-15)11-6-12(7-11)18-16(23)13-8-14(25-21-13)10-4-2-1-3-5-10/h1-5,8,11,22H,6-7,9H2/b18-12-
InChIKeyQCELTXBHRXGHIP-PDGQHHTCSA-N
MW338.32 g/mol
LogP2.38
Rot. Bonds4

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

N-[3-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]cyclobutylidene]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 163891805) has the molecular formula C17H14N4O4 and a molecular weight of 338.32 g/mol. Its IUPAC name is N-[3-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]cyclobutylidene]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]cyclobutylidene]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID163891805
Molecular FormulaC17H14N4O4
Molecular Weight338.32 g/mol
Exact Mass338.10
IUPAC NameN-[3-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]cyclobutylidene]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(N=C1CC(c2nnc(CO)o2)C1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C17H14N4O4/c22-9-15-19-20-17(24-15)11-6-12(7-11)18-16(23)13-8-14(25-21-13)10-4-2-1-3-5-10/h1-5,8,11,22H,6-7,9H2/b18-12-
InChIKeyQCELTXBHRXGHIP-PDGQHHTCSA-N
XLogP2.38
TPSA114.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-8-bicyclo[3.2.1]octanyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 130327567
N-[3-[2-(hydroxymethyl)-1,3-oxazol-5-yl]cyclopentyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 130327566
N-[3-[5-(1,1-dihydroxythietan-3-yl)-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 118608795
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-[2-(hydroxymethyl)cyclopentyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 103751269
N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)cyclobutyl]-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 144981675
5-phenyl-1,2-oxazole-3-carbothioic S-acid
CID 144767525
5-phenyl-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide
CID 43943258
N-(cyclobutylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 33379552
ethane;1-(5-phenyl-1,2-oxazol-3-yl)ethanone
CID 145281683
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 79410077
N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-phenyl-1,2-oxazole-3-carboxamide
CID 43945980

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]cyclobutylidene]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]cyclobutylidene]-5-phenyl-1,2-oxazole-3-carboxamide (CID 163891805) is N-[3-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]cyclobutylidene]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]cyclobutylidene]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]cyclobutylidene]-5-phenyl-1,2-oxazole-3-carboxamide is O=C(N=C1CC(c2nnc(CO)o2)C1)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-[3-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]cyclobutylidene]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is QCELTXBHRXGHIP-PDGQHHTCSA-N. The full InChI is InChI=1S/C17H14N4O4/c22-9-15-19-20-17(24-15)11-6-12(7-11)18-16(23)13-8-14(25-21-13)10-4-2-1-3-5-10/h1-5,8,11,22H,6-7,9H2/b18-12-.
What are the key properties of N-[3-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]cyclobutylidene]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[3-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]cyclobutylidene]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 338.32 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]cyclobutylidene]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 163891805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).