N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide

C22H25FN4O3S — CID 42933483

IUPACN-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESCC1CN(Cc2csc(NC(=O)CCc3ncc(-c4ccccc4F)o3)n2)CC(C)O1
InChIInChI=1S/C22H25FN4O3S/c1-14-10-27(11-15(2)29-14)12-16-13-31-22(25-16)26-20(28)7-8-21-24-9-19(30-21)17-5-3-4-6-18(17)23/h3-6,9,13-15H,7-8,10-12H2,1-2H3,(H,25,26,28)
InChIKeyMEJVFRKEYLWQGH-UHFFFAOYSA-N
MW444.53 g/mol
LogP4.12
Rot. Bonds7

About N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide

N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 42933483) has the molecular formula C22H25FN4O3S and a molecular weight of 444.53 g/mol. Its IUPAC name is N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID42933483
Molecular FormulaC22H25FN4O3S
Molecular Weight444.53 g/mol
Exact Mass444.16
IUPAC NameN-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESCC1CN(Cc2csc(NC(=O)CCc3ncc(-c4ccccc4F)o3)n2)CC(C)O1
InChIInChI=1S/C22H25FN4O3S/c1-14-10-27(11-15(2)29-14)12-16-13-31-22(25-16)26-20(28)7-8-21-24-9-19(30-21)17-5-3-4-6-18(17)23/h3-6,9,13-15H,7-8,10-12H2,1-2H3,(H,25,26,28)
InChIKeyMEJVFRKEYLWQGH-UHFFFAOYSA-N
XLogP4.12
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
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CID 30185079
4-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]butanamide;dihydrochloride
CID 119840495
4-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]pentanamide
CID 120564439
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-(2-methylphenyl)acetamide
CID 51321385
N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-3-(5-methyl-3-pyridinyl)propanamide
CID 124731109
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(1-methylpyrazol-3-yl)propanamide
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N-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-4-(2-methylimidazol-1-yl)butanamide
CID 94819885
N-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 30202410
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-naphthalen-1-yloxyacetamide
CID 17495173
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide
CID 42933445
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 127348482

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide (CID 42933483) is N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide is CC1CN(Cc2csc(NC(=O)CCc3ncc(-c4ccccc4F)o3)n2)CC(C)O1.
What is the InChIKey of N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is MEJVFRKEYLWQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O3S/c1-14-10-27(11-15(2)29-14)12-16-13-31-22(25-16)26-20(28)7-8-21-24-9-19(30-21)17-5-3-4-6-18(17)23/h3-6,9,13-15H,7-8,10-12H2,1-2H3,(H,25,26,28).
What are the key properties of N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 444.53 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 42933483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).