N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(3-methylbutyl)acetamide

C21H28FN3O3 — CID 46028142

IUPACN-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(3-methylbutyl)acetamide
SMILESCC(=O)N(CCC(C)C)Cc1c(-c2ccccc2F)noc1N1CCOCC1
InChIInChI=1S/C21H28FN3O3/c1-15(2)8-9-25(16(3)26)14-18-20(17-6-4-5-7-19(17)22)23-28-21(18)24-10-12-27-13-11-24/h4-7,15H,8-14H2,1-3H3
InChIKeyBMDPILRKXNOONW-UHFFFAOYSA-N
MW389.47 g/mol
LogP3.71
Rot. Bonds7

About N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(3-methylbutyl)acetamide

N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(3-methylbutyl)acetamide (PubChem CID 46028142) has the molecular formula C21H28FN3O3 and a molecular weight of 389.47 g/mol. Its IUPAC name is N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound NameN-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(3-methylbutyl)acetamide
PubChem CID46028142
Molecular FormulaC21H28FN3O3
Molecular Weight389.47 g/mol
Exact Mass389.21
IUPAC NameN-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(3-methylbutyl)acetamide
SMILESCC(=O)N(CCC(C)C)Cc1c(-c2ccccc2F)noc1N1CCOCC1
InChIInChI=1S/C21H28FN3O3/c1-15(2)8-9-25(16(3)26)14-18-20(17-6-4-5-7-19(17)22)23-28-21(18)24-10-12-27-13-11-24/h4-7,15H,8-14H2,1-3H3
InChIKeyBMDPILRKXNOONW-UHFFFAOYSA-N
XLogP3.71
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-butan-2-yl]-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methylpropanamide
CID 93222599
N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methyl-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 93222637
N-[(2R)-butan-2-yl]-4-fluoro-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]benzamide
CID 93222594
N-[(2S)-butan-2-yl]-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-4-methylbenzamide
CID 93222607
N-[(2R)-butan-2-yl]-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]furan-2-carboxamide
CID 93222596
N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 42682736
1-[cyclopropyl-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]amino]-3-phenylpropan-2-ol
CID 42843847
2-fluoro-N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-N-(3-methylbutyl)benzamide
CID 24719352
4-chloro-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(2-methylpropyl)benzamide
CID 46023492
N-cyclopropyl-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-3-methoxybenzamide
CID 46028113
2-fluoro-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylbenzamide
CID 46015009
4-fluoro-N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-N-(3-methylbutyl)benzamide
CID 46027748

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(3-methylbutyl)acetamide?
The IUPAC name of N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(3-methylbutyl)acetamide (CID 46028142) is N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(3-methylbutyl)acetamide?
The canonical SMILES for N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(3-methylbutyl)acetamide is CC(=O)N(CCC(C)C)Cc1c(-c2ccccc2F)noc1N1CCOCC1.
What is the InChIKey of N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(3-methylbutyl)acetamide?
The InChIKey is BMDPILRKXNOONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O3/c1-15(2)8-9-25(16(3)26)14-18-20(17-6-4-5-7-19(17)22)23-28-21(18)24-10-12-27-13-11-24/h4-7,15H,8-14H2,1-3H3.
What are the key properties of N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(3-methylbutyl)acetamide?
N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(3-methylbutyl)acetamide has a molecular weight of 389.47 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 46028142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).