N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-2-hydroxy-5-(prop-2-enoylamino)benzamide

C17H17N3O4 — CID 166412462

IUPACN-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-2-hydroxy-5-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1ccc(O)c(C(=O)Nc2c(C)noc2C2CC2)c1
InChIInChI=1S/C17H17N3O4/c1-3-14(22)18-11-6-7-13(21)12(8-11)17(23)19-15-9(2)20-24-16(15)10-4-5-10/h3,6-8,10,21H,1,4-5H2,2H3,(H,18,22)(H,19,23)
InChIKeyKXZCSKXEPPIQRJ-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.94
Rot. Bonds5

About N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-2-hydroxy-5-(prop-2-enoylamino)benzamide

N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-2-hydroxy-5-(prop-2-enoylamino)benzamide (PubChem CID 166412462) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-2-hydroxy-5-(prop-2-enoylamino)benzamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-2-hydroxy-5-(prop-2-enoylamino)benzamide
PubChem CID166412462
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC NameN-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-2-hydroxy-5-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1ccc(O)c(C(=O)Nc2c(C)noc2C2CC2)c1
InChIInChI=1S/C17H17N3O4/c1-3-14(22)18-11-6-7-13(21)12(8-11)17(23)19-15-9(2)20-24-16(15)10-4-5-10/h3,6-8,10,21H,1,4-5H2,2H3,(H,18,22)(H,19,23)
InChIKeyKXZCSKXEPPIQRJ-UHFFFAOYSA-N
XLogP2.94
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]-2-hydroxy-5-(prop-2-enoylamino)benzamide
CID 166412424
2-hydroxy-N-(2-oxabicyclo[2.1.1]hexan-4-ylmethyl)-5-(prop-2-enoylamino)benzamide
CID 166410931
2-cyclopropyl-N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-6-oxo-1H-pyridine-4-carboxamide
CID 127905011
N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-hydroxy-5-(prop-2-enoylamino)benzamide
CID 166412586
2-hydroxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-5-(prop-2-enoylamino)benzamide
CID 167790768
N-cyclopentyl-N-ethyl-2-hydroxy-5-(prop-2-enoylamino)benzamide
CID 167861171
N-[3-(2-ethylmorpholine-4-carbonyl)-4-hydroxyphenyl]prop-2-enamide
CID 166408627
1-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(3-morpholin-4-ylphenyl)urea
CID 99592728
2-hydroxy-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5-(prop-2-enoylamino)benzamide
CID 166408662
N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-2-hydroxy-5-(prop-2-enoylamino)benzamide
CID 166412459
N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(3,5-dimethylphenyl)propanamide
CID 75484697
N-[4-hydroxy-3-[3-(5-methylfuran-2-yl)thiomorpholine-4-carbonyl]phenyl]prop-2-enamide
CID 167808884

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-2-hydroxy-5-(prop-2-enoylamino)benzamide?
The IUPAC name of N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-2-hydroxy-5-(prop-2-enoylamino)benzamide (CID 166412462) is N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-2-hydroxy-5-(prop-2-enoylamino)benzamide.
What is the SMILES notation for N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-2-hydroxy-5-(prop-2-enoylamino)benzamide?
The canonical SMILES for N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-2-hydroxy-5-(prop-2-enoylamino)benzamide is C=CC(=O)Nc1ccc(O)c(C(=O)Nc2c(C)noc2C2CC2)c1.
What is the InChIKey of N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-2-hydroxy-5-(prop-2-enoylamino)benzamide?
The InChIKey is KXZCSKXEPPIQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-3-14(22)18-11-6-7-13(21)12(8-11)17(23)19-15-9(2)20-24-16(15)10-4-5-10/h3,6-8,10,21H,1,4-5H2,2H3,(H,18,22)(H,19,23).
What are the key properties of N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-2-hydroxy-5-(prop-2-enoylamino)benzamide?
N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-2-hydroxy-5-(prop-2-enoylamino)benzamide has a molecular weight of 327.34 g/mol, XLogP of 2.94, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-2-hydroxy-5-(prop-2-enoylamino)benzamide is sourced from PubChem (CID 166412462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).