4-[[1-(3-fluorophenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole

C18H14FN3OS2 — CID 30899973

IUPAC4-[[1-(3-fluorophenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole
SMILESCc1oc(-c2cccs2)nc1CSc1nccn1-c1cccc(F)c1
InChIInChI=1S/C18H14FN3OS2/c1-12-15(21-17(23-12)16-6-3-9-24-16)11-25-18-20-7-8-22(18)14-5-2-4-13(19)10-14/h2-10H,11H2,1H3
InChIKeyYIYGHPSYEJQMQN-UHFFFAOYSA-N
MW371.46 g/mol
LogP5.33
Rot. Bonds5

About 4-[[1-(3-fluorophenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole

4-[[1-(3-fluorophenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole (PubChem CID 30899973) has the molecular formula C18H14FN3OS2 and a molecular weight of 371.46 g/mol. Its IUPAC name is 4-[[1-(3-fluorophenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-[[1-(3-fluorophenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole
PubChem CID30899973
Molecular FormulaC18H14FN3OS2
Molecular Weight371.46 g/mol
Exact Mass371.06
IUPAC Name4-[[1-(3-fluorophenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole
SMILESCc1oc(-c2cccs2)nc1CSc1nccn1-c1cccc(F)c1
InChIInChI=1S/C18H14FN3OS2/c1-12-15(21-17(23-12)16-6-3-9-24-16)11-25-18-20-7-8-22(18)14-5-2-4-13(19)10-14/h2-10H,11H2,1H3
InChIKeyYIYGHPSYEJQMQN-UHFFFAOYSA-N
XLogP5.33
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.46
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3-Methylimidazo[2,1-b][1,3]thiazol-6-yl)methylsulfanyl]-1,3-benzoxazole
CID 658403
2-((Imidazo[2,1-b]thiazol-6-ylmethyl)thio)benzo[d]oxazole hydrobromide
CID 6603265
Benzoxazole, 2-[difluoro[(1-methyl-1H-imidazol-2-yl)thio]methyl]-
CID 391718
2-(3-Imidazol-1-ylpropylsulfanyl)-1,3-benzoxazole
CID 118733124
2-(4-Imidazol-1-ylbutylsulfanyl)-1,3-benzoxazole
CID 118733125
4-({3H-Imidazo[4,5-C]pyridin-2-ylsulfanyl}methyl)-5-methyl-2-(thiophen-2-YL)-1,3-oxazole
CID 6625427
N-(furan-2-ylmethyl)-3-phenyl-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide
CID 16260649
ethyl 1-{[5-methyl-2-(3-methyl-2-thienyl)-1,3-oxazol-4-yl]methyl}-1H-imidazole-2-carboxylate
CID 56750792
2-((Imidazo[2,1-b]thiazol-6-ylmethyl)thio)benzo[d]oxazole
CID 2999591
4-[[2-[(4-Fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 20908541
4-[(2-{[(3-Fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-B]pyridin-3-YL)methyl]-5-methyl-2-(thiophen-2-YL)-1,3-oxazole
CID 20908645
3-({5-[1-(4-fluorophenyl)-1H-imidazol-2-yl]-2-furyl}thio)-4-methyl-4H-1,2,4-triazole
CID 50959369

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(3-fluorophenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole?
The IUPAC name of 4-[[1-(3-fluorophenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole (CID 30899973) is 4-[[1-(3-fluorophenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole.
What is the SMILES notation for 4-[[1-(3-fluorophenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole?
The canonical SMILES for 4-[[1-(3-fluorophenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole is Cc1oc(-c2cccs2)nc1CSc1nccn1-c1cccc(F)c1.
What is the InChIKey of 4-[[1-(3-fluorophenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole?
The InChIKey is YIYGHPSYEJQMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3OS2/c1-12-15(21-17(23-12)16-6-3-9-24-16)11-25-18-20-7-8-22(18)14-5-2-4-13(19)10-14/h2-10H,11H2,1H3.
What are the key properties of 4-[[1-(3-fluorophenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole?
4-[[1-(3-fluorophenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole has a molecular weight of 371.46 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(3-fluorophenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole is sourced from PubChem (CID 30899973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).