1-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)urea

C15H14FN5O2S — CID 71857416

IUPAC1-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)urea
SMILESCc1nc(C(NC(=O)Nc2ncc(C)s2)c2ccccc2F)no1
InChIInChI=1S/C15H14FN5O2S/c1-8-7-17-15(24-8)20-14(22)19-12(13-18-9(2)23-21-13)10-5-3-4-6-11(10)16/h3-7,12H,1-2H3,(H2,17,19,20,22)
InChIKeySKNQQDNNTQGBDQ-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.19
Rot. Bonds4

About 1-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)urea

1-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)urea (PubChem CID 71857416) has the molecular formula C15H14FN5O2S and a molecular weight of 347.38 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)urea
PubChem CID71857416
Molecular FormulaC15H14FN5O2S
Molecular Weight347.38 g/mol
Exact Mass347.09
IUPAC Name1-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)urea
SMILESCc1nc(C(NC(=O)Nc2ncc(C)s2)c2ccccc2F)no1
InChIInChI=1S/C15H14FN5O2S/c1-8-7-17-15(24-8)20-14(22)19-12(13-18-9(2)23-21-13)10-5-3-4-6-11(10)16/h3-7,12H,1-2H3,(H2,17,19,20,22)
InChIKeySKNQQDNNTQGBDQ-UHFFFAOYSA-N
XLogP3.19
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)urea (CID 71857416) is 1-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)urea is Cc1nc(C(NC(=O)Nc2ncc(C)s2)c2ccccc2F)no1.
What is the InChIKey of 1-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)urea?
The InChIKey is SKNQQDNNTQGBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O2S/c1-8-7-17-15(24-8)20-14(22)19-12(13-18-9(2)23-21-13)10-5-3-4-6-11(10)16/h3-7,12H,1-2H3,(H2,17,19,20,22).
What are the key properties of 1-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)urea?
1-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)urea has a molecular weight of 347.38 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 71857416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).