1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea

C16H15N5O2S — CID 51106246

IUPAC1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
SMILESO=C(NCc1cc(-c2ccccc2)on1)Nc1nnc(C2CC2)s1
InChIInChI=1S/C16H15N5O2S/c22-15(18-16-20-19-14(24-16)11-6-7-11)17-9-12-8-13(23-21-12)10-4-2-1-3-5-10/h1-5,8,11H,6-7,9H2,(H2,17,18,20,22)
InChIKeyAFCLJPVITUARTB-UHFFFAOYSA-N
MW341.40 g/mol
LogP3.39
Rot. Bonds5

About 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea

1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea (PubChem CID 51106246) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
PubChem CID51106246
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC Name1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
SMILESO=C(NCc1cc(-c2ccccc2)on1)Nc1nnc(C2CC2)s1
InChIInChI=1S/C16H15N5O2S/c22-15(18-16-20-19-14(24-16)11-6-7-11)17-9-12-8-13(23-21-12)10-4-2-1-3-5-10/h1-5,8,11H,6-7,9H2,(H2,17,18,20,22)
InChIKeyAFCLJPVITUARTB-UHFFFAOYSA-N
XLogP3.39
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea with MolForge

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Related Compounds

1-[(5-phenyl-1,2-oxazol-3-yl)methyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 51106245
1-(4-fluorophenyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
CID 47093359
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1,2,5-thiadiazol-3-ylmethyl)urea
CID 166310944
1-[(1-hydroxycyclopentyl)methyl]-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
CID 111104199
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]urea
CID 51080161
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-phenylbenzamide
CID 4812441
2-phenyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide
CID 16866545
N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]adamantane-1-carboxamide
CID 16867478
cis-(1S,2R)-2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 95150035
1-phenyl-3-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]urea
CID 110314655
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,2-diphenylacetamide
CID 2408234
1-[(5-phenyl-1,2-oxazol-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 122000164

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea?
The IUPAC name of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea (CID 51106246) is 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea.
What is the SMILES notation for 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea?
The canonical SMILES for 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea is O=C(NCc1cc(-c2ccccc2)on1)Nc1nnc(C2CC2)s1.
What is the InChIKey of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea?
The InChIKey is AFCLJPVITUARTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c22-15(18-16-20-19-14(24-16)11-6-7-11)17-9-12-8-13(23-21-12)10-4-2-1-3-5-10/h1-5,8,11H,6-7,9H2,(H2,17,18,20,22).
What are the key properties of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea?
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea has a molecular weight of 341.40 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea is sourced from PubChem (CID 51106246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).