1-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-3-methylurea

C20H23N3O2 — CID 57174885

IUPAC1-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-3-methylurea
SMILESCNC(=O)NC(Cc1ccccc1)C1C=C(Cc2ccccc2)NO1
InChIInChI=1S/C20H23N3O2/c1-21-20(24)22-18(13-16-10-6-3-7-11-16)19-14-17(23-25-19)12-15-8-4-2-5-9-15/h2-11,14,18-19,23H,12-13H2,1H3,(H2,21,22,24)
InChIKeyXKPDGYQUCVPXTB-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.56
Rot. Bonds6

About 1-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-3-methylurea

1-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-3-methylurea (PubChem CID 57174885) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-3-methylurea.

Molecular Properties

Compound Name1-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-3-methylurea
PubChem CID57174885
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name1-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-3-methylurea
SMILESCNC(=O)NC(Cc1ccccc1)C1C=C(Cc2ccccc2)NO1
InChIInChI=1S/C20H23N3O2/c1-21-20(24)22-18(13-16-10-6-3-7-11-16)19-14-17(23-25-19)12-15-8-4-2-5-9-15/h2-11,14,18-19,23H,12-13H2,1H3,(H2,21,22,24)
InChIKeyXKPDGYQUCVPXTB-UHFFFAOYSA-N
XLogP2.56
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-3-methylurea?
The IUPAC name of 1-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-3-methylurea (CID 57174885) is 1-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-3-methylurea.
What is the SMILES notation for 1-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-3-methylurea?
The canonical SMILES for 1-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-3-methylurea is CNC(=O)NC(Cc1ccccc1)C1C=C(Cc2ccccc2)NO1.
What is the InChIKey of 1-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-3-methylurea?
The InChIKey is XKPDGYQUCVPXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-21-20(24)22-18(13-16-10-6-3-7-11-16)19-14-17(23-25-19)12-15-8-4-2-5-9-15/h2-11,14,18-19,23H,12-13H2,1H3,(H2,21,22,24).
What are the key properties of 1-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-3-methylurea?
1-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-3-methylurea has a molecular weight of 337.42 g/mol, XLogP of 2.56, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-3-methylurea is sourced from PubChem (CID 57174885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).