4-fluoro-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide

C27H30FN3O4 — CID 93223098

IUPAC4-fluoro-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCc1cccc(-c2noc(N3CCOCC3)c2CN(C[C@@H]2CCCO2)C(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C27H30FN3O4/c1-19-4-2-5-21(16-19)25-24(27(35-29-25)30-11-14-33-15-12-30)18-31(17-23-6-3-13-34-23)26(32)20-7-9-22(28)10-8-20/h2,4-5,7-10,16,23H,3,6,11-15,17-18H2,1H3/t23-/m0/s1
InChIKeyZUAJNLDWKGHWLM-QHCPKHFHSA-N
MW479.55 g/mol
LogP4.45
Rot. Bonds7

About 4-fluoro-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide

4-fluoro-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 93223098) has the molecular formula C27H30FN3O4 and a molecular weight of 479.55 g/mol. Its IUPAC name is 4-fluoro-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
PubChem CID93223098
Molecular FormulaC27H30FN3O4
Molecular Weight479.55 g/mol
Exact Mass479.22
IUPAC Name4-fluoro-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCc1cccc(-c2noc(N3CCOCC3)c2CN(C[C@@H]2CCCO2)C(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C27H30FN3O4/c1-19-4-2-5-21(16-19)25-24(27(35-29-25)30-11-14-33-15-12-30)18-31(17-23-6-3-13-34-23)26(32)20-7-9-22(28)10-8-20/h2,4-5,7-10,16,23H,3,6,11-15,17-18H2,1H3/t23-/m0/s1
InChIKeyZUAJNLDWKGHWLM-QHCPKHFHSA-N
XLogP4.45
TPSA68.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.55
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 46028612
3-bromo-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 46028620
3-bromo-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 98169525
4-fluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
CID 93207843
N-(cyclopropylmethyl)-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]benzamide
CID 46028631
4-fluoro-N-(furan-2-ylmethyl)-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]benzamide
CID 46028479
N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 93207790
4-chloro-N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 93222275
N-(cyclopropylmethyl)-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]propanamide
CID 46028630
N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-propylbenzamide
CID 46028570
N-cyclopropyl-4-methoxy-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]benzamide
CID 46028544
N-[2-(dimethylamino)ethyl]-3-fluoro-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]benzamide
CID 46153638

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 4-fluoro-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide (CID 93223098) is 4-fluoro-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 4-fluoro-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide is Cc1cccc(-c2noc(N3CCOCC3)c2CN(C[C@@H]2CCCO2)C(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 4-fluoro-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The InChIKey is ZUAJNLDWKGHWLM-QHCPKHFHSA-N. The full InChI is InChI=1S/C27H30FN3O4/c1-19-4-2-5-21(16-19)25-24(27(35-29-25)30-11-14-33-15-12-30)18-31(17-23-6-3-13-34-23)26(32)20-7-9-22(28)10-8-20/h2,4-5,7-10,16,23H,3,6,11-15,17-18H2,1H3/t23-/m0/s1.
What are the key properties of 4-fluoro-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
4-fluoro-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide has a molecular weight of 479.55 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 93223098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).