N-[(2S)-butan-2-yl]-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methylpropanamide

C22H30FN3O3 — CID 93222599

IUPACN-[(2S)-butan-2-yl]-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methylpropanamide
SMILESCC[C@H](C)N(Cc1c(-c2ccccc2F)noc1N1CCOCC1)C(=O)C(C)C
InChIInChI=1S/C22H30FN3O3/c1-5-16(4)26(21(27)15(2)3)14-18-20(17-8-6-7-9-19(17)23)24-29-22(18)25-10-12-28-13-11-25/h6-9,15-16H,5,10-14H2,1-4H3/t16-/m0/s1
InChIKeyZZTKIKQWCAKCEN-INIZCTEOSA-N
MW403.50 g/mol
LogP4.10
Rot. Bonds7

About N-[(2S)-butan-2-yl]-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methylpropanamide

N-[(2S)-butan-2-yl]-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methylpropanamide (PubChem CID 93222599) has the molecular formula C22H30FN3O3 and a molecular weight of 403.50 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methylpropanamide
PubChem CID93222599
Molecular FormulaC22H30FN3O3
Molecular Weight403.50 g/mol
Exact Mass403.23
IUPAC NameN-[(2S)-butan-2-yl]-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methylpropanamide
SMILESCC[C@H](C)N(Cc1c(-c2ccccc2F)noc1N1CCOCC1)C(=O)C(C)C
InChIInChI=1S/C22H30FN3O3/c1-5-16(4)26(21(27)15(2)3)14-18-20(17-8-6-7-9-19(17)23)24-29-22(18)25-10-12-28-13-11-25/h6-9,15-16H,5,10-14H2,1-4H3/t16-/m0/s1
InChIKeyZZTKIKQWCAKCEN-INIZCTEOSA-N
XLogP4.10
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-[(2S)-butan-2-yl]-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methylpropanamide (CID 93222599) is N-[(2S)-butan-2-yl]-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methylpropanamide is CC[C@H](C)N(Cc1c(-c2ccccc2F)noc1N1CCOCC1)C(=O)C(C)C.
What is the InChIKey of N-[(2S)-butan-2-yl]-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methylpropanamide?
The InChIKey is ZZTKIKQWCAKCEN-INIZCTEOSA-N. The full InChI is InChI=1S/C22H30FN3O3/c1-5-16(4)26(21(27)15(2)3)14-18-20(17-8-6-7-9-19(17)23)24-29-22(18)25-10-12-28-13-11-25/h6-9,15-16H,5,10-14H2,1-4H3/t16-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methylpropanamide?
N-[(2S)-butan-2-yl]-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methylpropanamide has a molecular weight of 403.50 g/mol, XLogP of 4.10, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 93222599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).