N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-fluoro-6-hydroxybenzamide

C14H15FN2O3 — CID 86797727

IUPACN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-fluoro-6-hydroxybenzamide
SMILESCc1noc(C)c1C(C)NC(=O)c1c(O)cccc1F
InChIInChI=1S/C14H15FN2O3/c1-7(12-8(2)17-20-9(12)3)16-14(19)13-10(15)5-4-6-11(13)18/h4-7,18H,1-3H3,(H,16,19)
InChIKeyLBFYNOCYRBOBOQ-UHFFFAOYSA-N
MW278.28 g/mol
LogP2.63
Rot. Bonds3

About N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-fluoro-6-hydroxybenzamide

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-fluoro-6-hydroxybenzamide (PubChem CID 86797727) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-fluoro-6-hydroxybenzamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-fluoro-6-hydroxybenzamide
PubChem CID86797727
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-fluoro-6-hydroxybenzamide
SMILESCc1noc(C)c1C(C)NC(=O)c1c(O)cccc1F
InChIInChI=1S/C14H15FN2O3/c1-7(12-8(2)17-20-9(12)3)16-14(19)13-10(15)5-4-6-11(13)18/h4-7,18H,1-3H3,(H,16,19)
InChIKeyLBFYNOCYRBOBOQ-UHFFFAOYSA-N
XLogP2.63
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide
CID 97241827
(2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide
CID 97241824
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-fluoro-3-methylbenzamide
CID 78961178
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-sulfanylbenzamide
CID 107032001
6-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-2-carboxamide
CID 79238480
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-iodobenzamide
CID 78961175
4-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]benzoic acid
CID 79230846
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78961689
2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide
CID 79225808
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylurea
CID 115626660
2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-3-fluorobenzoic acid
CID 79241609
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-sulfanylbenzamide
CID 107032009

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-fluoro-6-hydroxybenzamide?
The IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-fluoro-6-hydroxybenzamide (CID 86797727) is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-fluoro-6-hydroxybenzamide.
What is the SMILES notation for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-fluoro-6-hydroxybenzamide?
The canonical SMILES for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-fluoro-6-hydroxybenzamide is Cc1noc(C)c1C(C)NC(=O)c1c(O)cccc1F.
What is the InChIKey of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-fluoro-6-hydroxybenzamide?
The InChIKey is LBFYNOCYRBOBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-7(12-8(2)17-20-9(12)3)16-14(19)13-10(15)5-4-6-11(13)18/h4-7,18H,1-3H3,(H,16,19).
What are the key properties of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-fluoro-6-hydroxybenzamide?
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-fluoro-6-hydroxybenzamide has a molecular weight of 278.28 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-fluoro-6-hydroxybenzamide is sourced from PubChem (CID 86797727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).