[2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

C19H18FN3O3S — CID 110110818

IUPAC[2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ncsc1C(=O)N1CCOC(c2ncc(Cc3ccc(F)cc3)o2)C1
InChIInChI=1S/C19H18FN3O3S/c1-12-17(27-11-22-12)19(24)23-6-7-25-16(10-23)18-21-9-15(26-18)8-13-2-4-14(20)5-3-13/h2-5,9,11,16H,6-8,10H2,1H3
InChIKeyFFQWWVMIQWDNTC-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.38
Rot. Bonds4

About [2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

[2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 110110818) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is [2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
PubChem CID110110818
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC Name[2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ncsc1C(=O)N1CCOC(c2ncc(Cc3ccc(F)cc3)o2)C1
InChIInChI=1S/C19H18FN3O3S/c1-12-17(27-11-22-12)19(24)23-6-7-25-16(10-23)18-21-9-15(26-18)8-13-2-4-14(20)5-3-13/h2-5,9,11,16H,6-8,10H2,1H3
InChIKeyFFQWWVMIQWDNTC-UHFFFAOYSA-N
XLogP3.38
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone
CID 125009992
cyclobutyl-[2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholin-4-yl]methanone
CID 110110467
1-[4-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholine-4-carbonyl]piperidin-1-yl]ethanone
CID 124987082
[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 125013432
[2-[5-(methylamino)-2-pyridinyl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110272030
(4-methyl-1,3-thiazol-5-yl)-[(2R)-2-pyridin-4-ylmorpholin-4-yl]methanone
CID 124998940
2-methyl-4-[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137168529
N-methyl-6-[(2R)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]pyridine-3-carboxamide
CID 95847922
[(3S)-3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 124998433
[(3S)-3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]methanone
CID 124978352
N-[5-[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 110119976
2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-pyrimidin-4-ylmorpholine
CID 110131518

Frequently Asked Questions

What is the IUPAC name of [2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (CID 110110818) is [2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is Cc1ncsc1C(=O)N1CCOC(c2ncc(Cc3ccc(F)cc3)o2)C1.
What is the InChIKey of [2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The InChIKey is FFQWWVMIQWDNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c1-12-17(27-11-22-12)19(24)23-6-7-25-16(10-23)18-21-9-15(26-18)8-13-2-4-14(20)5-3-13/h2-5,9,11,16H,6-8,10H2,1H3.
What are the key properties of [2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
[2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 387.44 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 110110818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).