(Z)-4-amino-3-hydrazinylbut-3-en-2-ol;N-cyclobutyl-5-phenyl-1,2-oxazole-3-carboxamide

C18H25N5O3 — CID 144981731

IUPAC(Z)-4-amino-3-hydrazinylbut-3-en-2-ol;N-cyclobutyl-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCC(O)/C(=C/N)NN.O=C(NC1CCC1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C14H14N2O2.C4H11N3O/c17-14(15-11-7-4-8-11)12-9-13(18-16-12)10-5-2-1-3-6-10;1-3(8)4(2-5)7-6/h1-3,5-6,9,11H,4,7-8H2,(H,15,17);2-3,7-8H,5-6H2,1H3/b;4-2-
InChIKeyMWJLXNWHIXKZRD-PMKJMFRLSA-N
MW359.43 g/mol
LogP1.25
Rot. Bonds5

About (Z)-4-amino-3-hydrazinylbut-3-en-2-ol;N-cyclobutyl-5-phenyl-1,2-oxazole-3-carboxamide

(Z)-4-amino-3-hydrazinylbut-3-en-2-ol;N-cyclobutyl-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 144981731) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is (Z)-4-amino-3-hydrazinylbut-3-en-2-ol;N-cyclobutyl-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name(Z)-4-amino-3-hydrazinylbut-3-en-2-ol;N-cyclobutyl-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID144981731
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name(Z)-4-amino-3-hydrazinylbut-3-en-2-ol;N-cyclobutyl-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCC(O)/C(=C/N)NN.O=C(NC1CCC1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C14H14N2O2.C4H11N3O/c17-14(15-11-7-4-8-11)12-9-13(18-16-12)10-5-2-1-3-6-10;1-3(8)4(2-5)7-6/h1-3,5-6,9,11H,4,7-8H2,(H,15,17);2-3,7-8H,5-6H2,1H3/b;4-2-
InChIKeyMWJLXNWHIXKZRD-PMKJMFRLSA-N
XLogP1.25
TPSA139.43 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-4-amino-3-hydrazinylbut-3-en-2-ol;N-cyclobutyl-5-phenyl-1,2-oxazole-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-(3-aminocyclobutyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 145123844
N-cyclobutyl-5-(3-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 144981703
N-cyclobutyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 24794414
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 90634797
N-(1-carbamoylazetidin-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 146022950
5-(4-chlorophenyl)-N-cyclohexyl-1,2-oxazole-3-carboxamide
CID 17252724
N-[3-[5-[(1S)-1-hydroxyethyl]pyrazol-1-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 118608880
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-[amino-[(Z)-1-amino-3-hydroxyprop-1-en-2-yl]amino]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 144981668
N-[3-[3-[(1R)-1-hydroxyethyl]pyrazol-1-yl]cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 118615540
N-[2-(hydroxymethyl)cyclopentyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 103751269

Frequently Asked Questions

What is the IUPAC name of (Z)-4-amino-3-hydrazinylbut-3-en-2-ol;N-cyclobutyl-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of (Z)-4-amino-3-hydrazinylbut-3-en-2-ol;N-cyclobutyl-5-phenyl-1,2-oxazole-3-carboxamide (CID 144981731) is (Z)-4-amino-3-hydrazinylbut-3-en-2-ol;N-cyclobutyl-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for (Z)-4-amino-3-hydrazinylbut-3-en-2-ol;N-cyclobutyl-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for (Z)-4-amino-3-hydrazinylbut-3-en-2-ol;N-cyclobutyl-5-phenyl-1,2-oxazole-3-carboxamide is CC(O)/C(=C/N)NN.O=C(NC1CCC1)c1cc(-c2ccccc2)on1.
What is the InChIKey of (Z)-4-amino-3-hydrazinylbut-3-en-2-ol;N-cyclobutyl-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is MWJLXNWHIXKZRD-PMKJMFRLSA-N. The full InChI is InChI=1S/C14H14N2O2.C4H11N3O/c17-14(15-11-7-4-8-11)12-9-13(18-16-12)10-5-2-1-3-6-10;1-3(8)4(2-5)7-6/h1-3,5-6,9,11H,4,7-8H2,(H,15,17);2-3,7-8H,5-6H2,1H3/b;4-2-.
What are the key properties of (Z)-4-amino-3-hydrazinylbut-3-en-2-ol;N-cyclobutyl-5-phenyl-1,2-oxazole-3-carboxamide?
(Z)-4-amino-3-hydrazinylbut-3-en-2-ol;N-cyclobutyl-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 1.25, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-amino-3-hydrazinylbut-3-en-2-ol;N-cyclobutyl-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 144981731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).