3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]propanamide

C19H23FN2O3 — CID 94633577

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]propanamide
SMILESCc1noc(C)c1CCC(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1
InChIInChI=1S/C19H23FN2O3/c1-12-16(13(2)25-22-12)9-10-18(23)21-19(17-4-3-11-24-17)14-5-7-15(20)8-6-14/h5-8,17,19H,3-4,9-11H2,1-2H3,(H,21,23)/t17-,19-/m0/s1
InChIKeyQAKINKDHLKMBQI-HKUYNNGSSA-N
MW346.40 g/mol
LogP3.40
Rot. Bonds6

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]propanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]propanamide (PubChem CID 94633577) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]propanamide
PubChem CID94633577
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]propanamide
SMILESCc1noc(C)c1CCC(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1
InChIInChI=1S/C19H23FN2O3/c1-12-16(13(2)25-22-12)9-10-18(23)21-19(17-4-3-11-24-17)14-5-7-15(20)8-6-14/h5-8,17,19H,3-4,9-11H2,1-2H3,(H,21,23)/t17-,19-/m0/s1
InChIKeyQAKINKDHLKMBQI-HKUYNNGSSA-N
XLogP3.40
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 75479531
N-[(4-bromophenyl)-cyclobutylmethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 55915480
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]acetamide
CID 136876879
N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-pyridin-3-ylpropanamide
CID 94633633
N-[cyclopentyl-(4-fluorophenyl)methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]acetamide
CID 60509408
2-(3,5-dimethylpyrazol-1-yl)-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]acetamide
CID 94633627
N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-2-thiophen-2-ylacetamide
CID 94633542
2-(2-ethyl-1,3-thiazol-4-yl)-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]acetamide
CID 94639876
4-amino-N-[oxolan-2-yl(phenyl)methyl]pentanamide
CID 120561583
1-(cyclopropylmethyl)-3-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]urea
CID 94666558
N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 96545451
N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide
CID 94633704

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]propanamide (CID 94633577) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]propanamide is Cc1noc(C)c1CCC(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]propanamide?
The InChIKey is QAKINKDHLKMBQI-HKUYNNGSSA-N. The full InChI is InChI=1S/C19H23FN2O3/c1-12-16(13(2)25-22-12)9-10-18(23)21-19(17-4-3-11-24-17)14-5-7-15(20)8-6-14/h5-8,17,19H,3-4,9-11H2,1-2H3,(H,21,23)/t17-,19-/m0/s1.
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]propanamide has a molecular weight of 346.40 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 94633577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).