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

C16H14FN3O2S — CID 29473465

IUPAC3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide
SMILESCn1ccs/c1=N\C(=O)CCc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C16H14FN3O2S/c1-20-8-9-23-16(20)19-14(21)6-7-15-18-10-13(22-15)11-2-4-12(17)5-3-11/h2-5,8-10H,6-7H2,1H3/b19-16-
InChIKeyLFDUNXWXBYUKSJ-MNDPQUGUSA-N
MW331.37 g/mol
LogP2.94
Rot. Bonds4

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

3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide (PubChem CID 29473465) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide
PubChem CID29473465
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC Name3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide
SMILESCn1ccs/c1=N\C(=O)CCc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C16H14FN3O2S/c1-20-8-9-23-16(20)19-14(21)6-7-15-18-10-13(22-15)11-2-4-12(17)5-3-11/h2-5,8-10H,6-7H2,1H3/b19-16-
InChIKeyLFDUNXWXBYUKSJ-MNDPQUGUSA-N
XLogP2.94
TPSA60.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propanamide
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3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-1-pyrrolidin-1-ylpropan-1-one
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3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 16593744
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CID 42490887
N-ethyl-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxyethyl)propanamide
CID 78855488
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3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methylphenyl)propanamide
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N-[1-(4-fluorophenyl)-2-methylpropyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 46691167
N-[2-(4-fluorophenyl)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 30698610
2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 65182883
methyl 3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]propanoate
CID 62012661
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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide?
The IUPAC name of 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide (CID 29473465) is 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide.
What is the SMILES notation for 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide?
The canonical SMILES for 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide is Cn1ccs/c1=N\C(=O)CCc1ncc(-c2ccc(F)cc2)o1.
What is the InChIKey of 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide?
The InChIKey is LFDUNXWXBYUKSJ-MNDPQUGUSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c1-20-8-9-23-16(20)19-14(21)6-7-15-18-10-13(22-15)11-2-4-12(17)5-3-11/h2-5,8-10H,6-7H2,1H3/b19-16-.
What are the key properties of 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide?
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide has a molecular weight of 331.37 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide is sourced from PubChem (CID 29473465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).