3-(4-acetylphenyl)-1-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea

C15H18N4O3 — CID 72852507

IUPAC3-(4-acetylphenyl)-1-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
SMILESCCN(Cc1noc(C)n1)C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C15H18N4O3/c1-4-19(9-14-16-11(3)22-18-14)15(21)17-13-7-5-12(6-8-13)10(2)20/h5-8H,4,9H2,1-3H3,(H,17,21)
InChIKeyCDDHVWMCHQRUFS-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.63
Rot. Bonds5

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

3-(4-acetylphenyl)-1-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea (PubChem CID 72852507) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 3-(4-acetylphenyl)-1-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea.

Molecular Properties

Compound Name3-(4-acetylphenyl)-1-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
PubChem CID72852507
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name3-(4-acetylphenyl)-1-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
SMILESCCN(Cc1noc(C)n1)C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C15H18N4O3/c1-4-19(9-14-16-11(3)22-18-14)15(21)17-13-7-5-12(6-8-13)10(2)20/h5-8H,4,9H2,1-3H3,(H,17,21)
InChIKeyCDDHVWMCHQRUFS-UHFFFAOYSA-N
XLogP2.63
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-oxoethyl]phenyl]butanamide
CID 46983229
1-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]urea
CID 118785768
3-(2H-benzotriazol-4-yl)-1-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 118776989
N,N-diethyl-4-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]benzamide
CID 32766350
3-(4-acetylphenyl)-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 136948205
3-(4-acetylphenyl)-1,1-diethylthiourea
CID 19652941
3-[1-[(1S)-1-cyclopropylethyl]-4-methylpyrazol-5-yl]-1-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 125171865
N-(4-acetylphenyl)-2-(diethylamino)-2-sulfanylideneacetamide
CID 3329908
3-(4-acetylphenyl)-1-ethyl-1-propan-2-ylurea
CID 61346463
3-[N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]anilino]propanoic acid
CID 60838393
N-ethyl-3,4,7-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-indole-2-carboxamide
CID 70781921
N-(4-acetylphenyl)-2-[methyl-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]acetamide
CID 53093293

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylphenyl)-1-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The IUPAC name of 3-(4-acetylphenyl)-1-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea (CID 72852507) is 3-(4-acetylphenyl)-1-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea.
What is the SMILES notation for 3-(4-acetylphenyl)-1-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The canonical SMILES for 3-(4-acetylphenyl)-1-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea is CCN(Cc1noc(C)n1)C(=O)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of 3-(4-acetylphenyl)-1-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The InChIKey is CDDHVWMCHQRUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-4-19(9-14-16-11(3)22-18-14)15(21)17-13-7-5-12(6-8-13)10(2)20/h5-8H,4,9H2,1-3H3,(H,17,21).
What are the key properties of 3-(4-acetylphenyl)-1-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
3-(4-acetylphenyl)-1-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea has a molecular weight of 302.33 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylphenyl)-1-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea is sourced from PubChem (CID 72852507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).