1-(3-hydroxypropyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(E)-3-phenylprop-2-enyl]urea

C17H22N4O3 — CID 119068325

IUPAC1-(3-hydroxypropyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(E)-3-phenylprop-2-enyl]urea
SMILESCc1nnc(CNC(=O)N(C/C=C/c2ccccc2)CCCO)o1
InChIInChI=1S/C17H22N4O3/c1-14-19-20-16(24-14)13-18-17(23)21(11-6-12-22)10-5-9-15-7-3-2-4-8-15/h2-5,7-9,22H,6,10-13H2,1H3,(H,18,23)/b9-5+
InChIKeyTXSSZBONGJJFSV-WEVVVXLNSA-N
MW330.39 g/mol
LogP1.99
Rot. Bonds8

About 1-(3-hydroxypropyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(E)-3-phenylprop-2-enyl]urea

1-(3-hydroxypropyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(E)-3-phenylprop-2-enyl]urea (PubChem CID 119068325) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(E)-3-phenylprop-2-enyl]urea.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(E)-3-phenylprop-2-enyl]urea
PubChem CID119068325
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name1-(3-hydroxypropyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(E)-3-phenylprop-2-enyl]urea
SMILESCc1nnc(CNC(=O)N(C/C=C/c2ccccc2)CCCO)o1
InChIInChI=1S/C17H22N4O3/c1-14-19-20-16(24-14)13-18-17(23)21(11-6-12-22)10-5-9-15-7-3-2-4-8-15/h2-5,7-9,22H,6,10-13H2,1H3,(H,18,23)/b9-5+
InChIKeyTXSSZBONGJJFSV-WEVVVXLNSA-N
XLogP1.99
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-hydroxyethyl)-1-(3-phenylprop-2-enyl)-3-(2,2,2-trifluoroethyl)urea
CID 171134574
2-methyl-5-(3-phenylprop-2-enyl)-1,3,4-oxadiazole
CID 68949565
N,N-bis[(E)-3-phenylprop-2-enyl]benzamide
CID 139601549
3-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one
CID 110333615
N,N-bis(3-hydroxypropyl)-3-phenylprop-2-enamide
CID 176654258
3-[benzhydryl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propan-1-ol
CID 111111050
(1R,2S,4R,5S)-N-(3-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 119069267
3-butyl-1-[(E)-3-phenylprop-2-enyl]-1-(2-piperidin-1-ylethyl)urea
CID 42702437
4-[(2-methylpropan-2-yl)oxycarbonyl-[(E)-3-phenylprop-2-enyl]amino]butanoic acid
CID 138963735
cis-(1R,3S)-3-amino-N-(3-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]cyclopentane-1-carboxamide
CID 133119161
N-(2-hydroxyethyl)-4-methyl-N-(3-phenylprop-2-enyl)pyrimidine-5-carboxamide
CID 171134622
(5-methyl-1,3,4-oxadiazol-2-yl)methylurea
CID 130738422

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(E)-3-phenylprop-2-enyl]urea?
The IUPAC name of 1-(3-hydroxypropyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(E)-3-phenylprop-2-enyl]urea (CID 119068325) is 1-(3-hydroxypropyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(E)-3-phenylprop-2-enyl]urea.
What is the SMILES notation for 1-(3-hydroxypropyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(E)-3-phenylprop-2-enyl]urea?
The canonical SMILES for 1-(3-hydroxypropyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(E)-3-phenylprop-2-enyl]urea is Cc1nnc(CNC(=O)N(C/C=C/c2ccccc2)CCCO)o1.
What is the InChIKey of 1-(3-hydroxypropyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(E)-3-phenylprop-2-enyl]urea?
The InChIKey is TXSSZBONGJJFSV-WEVVVXLNSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-14-19-20-16(24-14)13-18-17(23)21(11-6-12-22)10-5-9-15-7-3-2-4-8-15/h2-5,7-9,22H,6,10-13H2,1H3,(H,18,23)/b9-5+.
What are the key properties of 1-(3-hydroxypropyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(E)-3-phenylprop-2-enyl]urea?
1-(3-hydroxypropyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(E)-3-phenylprop-2-enyl]urea has a molecular weight of 330.39 g/mol, XLogP of 1.99, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(E)-3-phenylprop-2-enyl]urea is sourced from PubChem (CID 119068325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).