N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide

C15H13FN2O3 — CID 65481168

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-5-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
SMILESCc1noc(NC(=O)c2cc(F)ccc2C#CCO)c1C
InChIInChI=1S/C15H13FN2O3/c1-9-10(2)18-21-15(9)17-14(20)13-8-12(16)6-5-11(13)4-3-7-19/h5-6,8,19H,7H2,1-2H3,(H,17,20)
InChIKeyJUOUGMGBGJUJGJ-UHFFFAOYSA-N
MW288.28 g/mol
LogP2.03
Rot. Bonds2

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide (PubChem CID 65481168) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-5-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
PubChem CID65481168
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-5-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
SMILESCc1noc(NC(=O)c2cc(F)ccc2C#CCO)c1C
InChIInChI=1S/C15H13FN2O3/c1-9-10(2)18-21-15(9)17-14(20)13-8-12(16)6-5-11(13)4-3-7-19/h5-6,8,19H,7H2,1-2H3,(H,17,20)
InChIKeyJUOUGMGBGJUJGJ-UHFFFAOYSA-N
XLogP2.03
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide
CID 65481556
2-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-fluorobenzamide
CID 65488531
4-(3-aminoprop-1-ynyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-fluorobenzamide
CID 65482558
ethyl 2-[[5-fluoro-2-(3-hydroxyprop-1-ynyl)benzoyl]amino]acetate
CID 60820951
N-[1-(dimethylamino)propan-2-yl]-5-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 82950139
N-[1-(dimethylamino)-1-oxopropan-2-yl]-5-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 61466173
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 60815660
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 60817208
2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methylbenzamide
CID 65486415
4-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-hydroxybenzamide
CID 65488539
2-(3-hydroxyprop-1-ynyl)-5-methyl-N-pyrimidin-5-ylbenzamide
CID 107589604
5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(thiadiazol-5-yl)benzamide
CID 114913730

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide (CID 65481168) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide is Cc1noc(NC(=O)c2cc(F)ccc2C#CCO)c1C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide?
The InChIKey is JUOUGMGBGJUJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c1-9-10(2)18-21-15(9)17-14(20)13-8-12(16)6-5-11(13)4-3-7-19/h5-6,8,19H,7H2,1-2H3,(H,17,20).
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide has a molecular weight of 288.28 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide is sourced from PubChem (CID 65481168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).