1-[(1S)-1-cyclopropylethyl]-3-(5-phenyl-1,3-oxazol-2-yl)urea

C15H17N3O2 — CID 178134807

IUPAC1-[(1S)-1-cyclopropylethyl]-3-(5-phenyl-1,3-oxazol-2-yl)urea
SMILESC[C@H](NC(=O)Nc1ncc(-c2ccccc2)o1)C1CC1
InChIInChI=1S/C15H17N3O2/c1-10(11-7-8-11)17-14(19)18-15-16-9-13(20-15)12-5-3-2-4-6-12/h2-6,9-11H,7-8H2,1H3,(H2,16,17,18,19)/t10-/m0/s1
InChIKeyJKOMPRAOKNRJBT-JTQLQIEISA-N
MW271.32 g/mol
LogP3.26
Rot. Bonds4

About 1-[(1S)-1-cyclopropylethyl]-3-(5-phenyl-1,3-oxazol-2-yl)urea

1-[(1S)-1-cyclopropylethyl]-3-(5-phenyl-1,3-oxazol-2-yl)urea (PubChem CID 178134807) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[(1S)-1-cyclopropylethyl]-3-(5-phenyl-1,3-oxazol-2-yl)urea.

Molecular Properties

Compound Name1-[(1S)-1-cyclopropylethyl]-3-(5-phenyl-1,3-oxazol-2-yl)urea
PubChem CID178134807
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-[(1S)-1-cyclopropylethyl]-3-(5-phenyl-1,3-oxazol-2-yl)urea
SMILESC[C@H](NC(=O)Nc1ncc(-c2ccccc2)o1)C1CC1
InChIInChI=1S/C15H17N3O2/c1-10(11-7-8-11)17-14(19)18-15-16-9-13(20-15)12-5-3-2-4-6-12/h2-6,9-11H,7-8H2,1H3,(H2,16,17,18,19)/t10-/m0/s1
InChIKeyJKOMPRAOKNRJBT-JTQLQIEISA-N
XLogP3.26
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-cyclopropylethyl]-3-(5-phenyl-1,3-oxazol-2-yl)urea?
The IUPAC name of 1-[(1S)-1-cyclopropylethyl]-3-(5-phenyl-1,3-oxazol-2-yl)urea (CID 178134807) is 1-[(1S)-1-cyclopropylethyl]-3-(5-phenyl-1,3-oxazol-2-yl)urea.
What is the SMILES notation for 1-[(1S)-1-cyclopropylethyl]-3-(5-phenyl-1,3-oxazol-2-yl)urea?
The canonical SMILES for 1-[(1S)-1-cyclopropylethyl]-3-(5-phenyl-1,3-oxazol-2-yl)urea is C[C@H](NC(=O)Nc1ncc(-c2ccccc2)o1)C1CC1.
What is the InChIKey of 1-[(1S)-1-cyclopropylethyl]-3-(5-phenyl-1,3-oxazol-2-yl)urea?
The InChIKey is JKOMPRAOKNRJBT-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10(11-7-8-11)17-14(19)18-15-16-9-13(20-15)12-5-3-2-4-6-12/h2-6,9-11H,7-8H2,1H3,(H2,16,17,18,19)/t10-/m0/s1.
What are the key properties of 1-[(1S)-1-cyclopropylethyl]-3-(5-phenyl-1,3-oxazol-2-yl)urea?
1-[(1S)-1-cyclopropylethyl]-3-(5-phenyl-1,3-oxazol-2-yl)urea has a molecular weight of 271.32 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-cyclopropylethyl]-3-(5-phenyl-1,3-oxazol-2-yl)urea is sourced from PubChem (CID 178134807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).