2-(4-fluorophenyl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-propyl-1,3-oxazole-4-carboxamide

C19H23FN2O3 — CID 51502642

IUPAC2-(4-fluorophenyl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-propyl-1,3-oxazole-4-carboxamide
SMILESCCCN(C[C@@H]1CCCO1)C(=O)c1nc(-c2ccc(F)cc2)oc1C
InChIInChI=1S/C19H23FN2O3/c1-3-10-22(12-16-5-4-11-24-16)19(23)17-13(2)25-18(21-17)14-6-8-15(20)9-7-14/h6-9,16H,3-5,10-12H2,1-2H3/t16-/m0/s1
InChIKeyDVNQOWWYZDAHHC-INIZCTEOSA-N
MW346.40 g/mol
LogP3.82
Rot. Bonds6

About 2-(4-fluorophenyl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-propyl-1,3-oxazole-4-carboxamide

2-(4-fluorophenyl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-propyl-1,3-oxazole-4-carboxamide (PubChem CID 51502642) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-propyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-propyl-1,3-oxazole-4-carboxamide
PubChem CID51502642
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name2-(4-fluorophenyl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-propyl-1,3-oxazole-4-carboxamide
SMILESCCCN(C[C@@H]1CCCO1)C(=O)c1nc(-c2ccc(F)cc2)oc1C
InChIInChI=1S/C19H23FN2O3/c1-3-10-22(12-16-5-4-11-24-16)19(23)17-13(2)25-18(21-17)14-6-8-15(20)9-7-14/h6-9,16H,3-5,10-12H2,1-2H3/t16-/m0/s1
InChIKeyDVNQOWWYZDAHHC-INIZCTEOSA-N
XLogP3.82
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-3-(4-fluorophenyl)-N-[oxolan-2-ylmethyl(propyl)carbamothioyl]prop-2-enamide
CID 6231907
2-methyl-6-oxo-N-(oxolan-2-ylmethyl)-N-propyl-1H-pyridine-4-carboxamide
CID 86285769
2-methyl-6-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-propyl-1H-pyridine-4-carboxamide
CID 99977630
3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide
CID 3352945
N-ethyl-1-(4-fluorophenyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2,4-triazole-3-carboxamide
CID 94489794
N-[3-(dipropylamino)-3-oxopropyl]-2-methyl-N-(oxolan-2-ylmethyl)furan-3-carboxamide
CID 42780309
N-[2-(dimethylamino)ethyl]-3-fluoro-6-methyl-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 131891298
N-ethyl-3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 3350679
N-(oxan-2-ylmethyl)-N-propyl-2H-benzotriazole-5-carboxamide
CID 86812984
5-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide
CID 127266585
N-[[(2S)-oxolan-2-yl]methyl]-N-propyl-4-pyrrol-1-ylbenzamide
CID 95211562
5-(4-chlorophenyl)-N-ethyl-N-(oxolan-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 49490501

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-propyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-propyl-1,3-oxazole-4-carboxamide (CID 51502642) is 2-(4-fluorophenyl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-propyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-propyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-propyl-1,3-oxazole-4-carboxamide is CCCN(C[C@@H]1CCCO1)C(=O)c1nc(-c2ccc(F)cc2)oc1C.
What is the InChIKey of 2-(4-fluorophenyl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-propyl-1,3-oxazole-4-carboxamide?
The InChIKey is DVNQOWWYZDAHHC-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23FN2O3/c1-3-10-22(12-16-5-4-11-24-16)19(23)17-13(2)25-18(21-17)14-6-8-15(20)9-7-14/h6-9,16H,3-5,10-12H2,1-2H3/t16-/m0/s1.
What are the key properties of 2-(4-fluorophenyl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-propyl-1,3-oxazole-4-carboxamide?
2-(4-fluorophenyl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-propyl-1,3-oxazole-4-carboxamide has a molecular weight of 346.40 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-propyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 51502642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).