3-[(3-fluorophenyl)methyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C17H18FN3O2S — CID 126467641

IUPAC3-[(3-fluorophenyl)methyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1nc(C(C)NC(=O)C2CC(Cc3cccc(F)c3)=NO2)cs1
InChIInChI=1S/C17H18FN3O2S/c1-10(15-9-24-11(2)20-15)19-17(22)16-8-14(21-23-16)7-12-4-3-5-13(18)6-12/h3-6,9-10,16H,7-8H2,1-2H3,(H,19,22)
InChIKeyLQCZXJCRBWWWPG-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.16
Rot. Bonds5

About 3-[(3-fluorophenyl)methyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

3-[(3-fluorophenyl)methyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 126467641) has the molecular formula C17H18FN3O2S and a molecular weight of 347.42 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID126467641
Molecular FormulaC17H18FN3O2S
Molecular Weight347.42 g/mol
Exact Mass347.11
IUPAC Name3-[(3-fluorophenyl)methyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1nc(C(C)NC(=O)C2CC(Cc3cccc(F)c3)=NO2)cs1
InChIInChI=1S/C17H18FN3O2S/c1-10(15-9-24-11(2)20-15)19-17(22)16-8-14(21-23-16)7-12-4-3-5-13(18)6-12/h3-6,9-10,16H,7-8H2,1-2H3,(H,19,22)
InChIKeyLQCZXJCRBWWWPG-UHFFFAOYSA-N
XLogP3.16
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[[2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide
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(4S)-3-[2-(4-fluorophenyl)acetyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
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N-{[3-(3-fluorobenzyl)-4,5-dihydro-5-isoxazolyl]methyl}-2-methyl-1,3-thiazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-[(3-fluorophenyl)methyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 126467641) is 3-[(3-fluorophenyl)methyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-[(3-fluorophenyl)methyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is Cc1nc(C(C)NC(=O)C2CC(Cc3cccc(F)c3)=NO2)cs1.
What is the InChIKey of 3-[(3-fluorophenyl)methyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is LQCZXJCRBWWWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2S/c1-10(15-9-24-11(2)20-15)19-17(22)16-8-14(21-23-16)7-12-4-3-5-13(18)6-12/h3-6,9-10,16H,7-8H2,1-2H3,(H,19,22).
What are the key properties of 3-[(3-fluorophenyl)methyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-[(3-fluorophenyl)methyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methyl]-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 126467641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).