N-cyclopropyl-N-(4-ethylcyclohexyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide

C23H29FN2O2 — CID 55594177

IUPACN-cyclopropyl-N-(4-ethylcyclohexyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESCCC1CCC(N(C(=O)CCc2ncc(-c3ccccc3F)o2)C2CC2)CC1
InChIInChI=1S/C23H29FN2O2/c1-2-16-7-9-17(10-8-16)26(18-11-12-18)23(27)14-13-22-25-15-21(28-22)19-5-3-4-6-20(19)24/h3-6,15-18H,2,7-14H2,1H3
InChIKeyGGWLAHSFQJYJJW-UHFFFAOYSA-N
MW384.50 g/mol
LogP5.37
Rot. Bonds7

About N-cyclopropyl-N-(4-ethylcyclohexyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide

N-cyclopropyl-N-(4-ethylcyclohexyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 55594177) has the molecular formula C23H29FN2O2 and a molecular weight of 384.50 g/mol. Its IUPAC name is N-cyclopropyl-N-(4-ethylcyclohexyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(4-ethylcyclohexyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID55594177
Molecular FormulaC23H29FN2O2
Molecular Weight384.50 g/mol
Exact Mass384.22
IUPAC NameN-cyclopropyl-N-(4-ethylcyclohexyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESCCC1CCC(N(C(=O)CCc2ncc(-c3ccccc3F)o2)C2CC2)CC1
InChIInChI=1S/C23H29FN2O2/c1-2-16-7-9-17(10-8-16)26(18-11-12-18)23(27)14-13-22-25-15-21(28-22)19-5-3-4-6-20(19)24/h3-6,15-18H,2,7-14H2,1H3
InChIKeyGGWLAHSFQJYJJW-UHFFFAOYSA-N
XLogP5.37
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.50
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119531213
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxyethyl)-N-methylpropanamide
CID 110886027
N-cyclopropyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 18136486
N-butyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 56535418
1-(4-aminopiperidin-1-yl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-one
CID 119374553
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-hydroxybutyl)-N-methylpropanamide
CID 111695986
N-[2-(tert-butylamino)-2-oxoethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 18137368
N-ethyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 16596466
N-[2-(dimethylamino)-2-oxoethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 78882579
N-(2-aminoethyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)propanamide;dihydrochloride
CID 120886717
1-(3-aminopiperidin-1-yl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-one
CID 119379130
N-[(2,4-dimethylphenyl)methyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 18168838

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(4-ethylcyclohexyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-cyclopropyl-N-(4-ethylcyclohexyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide (CID 55594177) is N-cyclopropyl-N-(4-ethylcyclohexyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-N-(4-ethylcyclohexyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-cyclopropyl-N-(4-ethylcyclohexyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide is CCC1CCC(N(C(=O)CCc2ncc(-c3ccccc3F)o2)C2CC2)CC1.
What is the InChIKey of N-cyclopropyl-N-(4-ethylcyclohexyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is GGWLAHSFQJYJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O2/c1-2-16-7-9-17(10-8-16)26(18-11-12-18)23(27)14-13-22-25-15-21(28-22)19-5-3-4-6-20(19)24/h3-6,15-18H,2,7-14H2,1H3.
What are the key properties of N-cyclopropyl-N-(4-ethylcyclohexyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
N-cyclopropyl-N-(4-ethylcyclohexyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 384.50 g/mol, XLogP of 5.37, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(4-ethylcyclohexyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 55594177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).