N-(cyclopropylmethyl)-3-[3-(3-fluorophenyl)-1,2-oxazol-4-yl]propanamide

C16H17FN2O2 — CID 53161791

IUPACN-(cyclopropylmethyl)-3-[3-(3-fluorophenyl)-1,2-oxazol-4-yl]propanamide
SMILESO=C(CCc1conc1-c1cccc(F)c1)NCC1CC1
InChIInChI=1S/C16H17FN2O2/c17-14-3-1-2-12(8-14)16-13(10-21-19-16)6-7-15(20)18-9-11-4-5-11/h1-3,8,10-11H,4-7,9H2,(H,18,20)
InChIKeyFTKAWENOMCJANB-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.94
Rot. Bonds6

About N-(cyclopropylmethyl)-3-[3-(3-fluorophenyl)-1,2-oxazol-4-yl]propanamide

N-(cyclopropylmethyl)-3-[3-(3-fluorophenyl)-1,2-oxazol-4-yl]propanamide (PubChem CID 53161791) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-[3-(3-fluorophenyl)-1,2-oxazol-4-yl]propanamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-[3-(3-fluorophenyl)-1,2-oxazol-4-yl]propanamide
PubChem CID53161791
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC NameN-(cyclopropylmethyl)-3-[3-(3-fluorophenyl)-1,2-oxazol-4-yl]propanamide
SMILESO=C(CCc1conc1-c1cccc(F)c1)NCC1CC1
InChIInChI=1S/C16H17FN2O2/c17-14-3-1-2-12(8-14)16-13(10-21-19-16)6-7-15(20)18-9-11-4-5-11/h1-3,8,10-11H,4-7,9H2,(H,18,20)
InChIKeyFTKAWENOMCJANB-UHFFFAOYSA-N
XLogP2.94
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-[3-(3-fluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 53161773
N-(cyclohexylmethyl)-3-(3-phenyl-1,2-oxazol-4-yl)propanamide
CID 71839867
N-[(2-chlorophenyl)methyl]-3-[3-(3-fluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 53161786
N-[(2-chloro-4-fluorophenyl)methyl]-3-(3-phenyl-1,2-oxazol-4-yl)propanamide
CID 71839873
N-(cyclopropylmethyl)-3-[3-(3-fluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide
CID 135859645
2-(3-fluorophenyl)-N-(oxan-4-ylmethyl)acetamide
CID 110736416
N-(cyclohexylmethyl)-3-(2-fluorophenyl)propanamide
CID 95899940
N-[(4-methylphenyl)methyl]-3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide
CID 71839834
2-(3-fluorophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106121345
N-(cyclopropylmethyl)-3-phenylpropanamide
CID 51076426
N-[[1-[2-(3-fluorophenoxy)acetyl]piperidin-4-yl]methyl]-3-pyridin-4-ylpropanamide
CID 131890711
3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 71839823

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-[3-(3-fluorophenyl)-1,2-oxazol-4-yl]propanamide?
The IUPAC name of N-(cyclopropylmethyl)-3-[3-(3-fluorophenyl)-1,2-oxazol-4-yl]propanamide (CID 53161791) is N-(cyclopropylmethyl)-3-[3-(3-fluorophenyl)-1,2-oxazol-4-yl]propanamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-[3-(3-fluorophenyl)-1,2-oxazol-4-yl]propanamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-[3-(3-fluorophenyl)-1,2-oxazol-4-yl]propanamide is O=C(CCc1conc1-c1cccc(F)c1)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-3-[3-(3-fluorophenyl)-1,2-oxazol-4-yl]propanamide?
The InChIKey is FTKAWENOMCJANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c17-14-3-1-2-12(8-14)16-13(10-21-19-16)6-7-15(20)18-9-11-4-5-11/h1-3,8,10-11H,4-7,9H2,(H,18,20).
What are the key properties of N-(cyclopropylmethyl)-3-[3-(3-fluorophenyl)-1,2-oxazol-4-yl]propanamide?
N-(cyclopropylmethyl)-3-[3-(3-fluorophenyl)-1,2-oxazol-4-yl]propanamide has a molecular weight of 288.32 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-[3-(3-fluorophenyl)-1,2-oxazol-4-yl]propanamide is sourced from PubChem (CID 53161791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).