1-phenyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]urea

C14H12N4O2S — CID 110322316

IUPAC1-phenyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]urea
SMILESO=C(NCc1nnc(-c2cccs2)o1)Nc1ccccc1
InChIInChI=1S/C14H12N4O2S/c19-14(16-10-5-2-1-3-6-10)15-9-12-17-18-13(20-12)11-7-4-8-21-11/h1-8H,9H2,(H2,15,16,19)
InChIKeyCKUKRWMVZHKWMT-UHFFFAOYSA-N
MW300.34 g/mol
LogP3.12
Rot. Bonds4

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

1-phenyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]urea (PubChem CID 110322316) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is 1-phenyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-phenyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]urea
PubChem CID110322316
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC Name1-phenyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]urea
SMILESO=C(NCc1nnc(-c2cccs2)o1)Nc1ccccc1
InChIInChI=1S/C14H12N4O2S/c19-14(16-10-5-2-1-3-6-10)15-9-12-17-18-13(20-12)11-7-4-8-21-11/h1-8H,9H2,(H2,15,16,19)
InChIKeyCKUKRWMVZHKWMT-UHFFFAOYSA-N
XLogP3.12
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 110318453
phenyl N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]carbamate
CID 110322337
1-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenylurea
CID 110319278
2,6-dimethoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110322296
N-(thiophen-2-ylmethyl)-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 53161971
4-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110322294
phenyl N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
CID 110322484
1-(4-fluorophenyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 92571611
1-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylurea
CID 9188540
(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methanol
CID 43558918
benzyl N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
CID 110322483
N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 110322424

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]urea?
The IUPAC name of 1-phenyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]urea (CID 110322316) is 1-phenyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]urea.
What is the SMILES notation for 1-phenyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]urea?
The canonical SMILES for 1-phenyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]urea is O=C(NCc1nnc(-c2cccs2)o1)Nc1ccccc1.
What is the InChIKey of 1-phenyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]urea?
The InChIKey is CKUKRWMVZHKWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c19-14(16-10-5-2-1-3-6-10)15-9-12-17-18-13(20-12)11-7-4-8-21-11/h1-8H,9H2,(H2,15,16,19).
What are the key properties of 1-phenyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]urea?
1-phenyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]urea has a molecular weight of 300.34 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]urea is sourced from PubChem (CID 110322316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).