1-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-phenylurea

C14H17N3O3 — CID 110315593

IUPAC1-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-phenylurea
SMILESO=C(NCC1CN(C2CC2)C(=O)O1)Nc1ccccc1
InChIInChI=1S/C14H17N3O3/c18-13(16-10-4-2-1-3-5-10)15-8-12-9-17(11-6-7-11)14(19)20-12/h1-5,11-12H,6-9H2,(H2,15,16,18)
InChIKeyRZOOWJHNYBXQAW-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.79
Rot. Bonds4

About 1-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-phenylurea

1-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-phenylurea (PubChem CID 110315593) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-phenylurea.

Molecular Properties

Compound Name1-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-phenylurea
PubChem CID110315593
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name1-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-phenylurea
SMILESO=C(NCC1CN(C2CC2)C(=O)O1)Nc1ccccc1
InChIInChI=1S/C14H17N3O3/c18-13(16-10-4-2-1-3-5-10)15-8-12-9-17(11-6-7-11)14(19)20-12/h1-5,11-12H,6-9H2,(H2,15,16,18)
InChIKeyRZOOWJHNYBXQAW-UHFFFAOYSA-N
XLogP1.79
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-phenylurea?
The IUPAC name of 1-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-phenylurea (CID 110315593) is 1-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-phenylurea.
What is the SMILES notation for 1-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-phenylurea?
The canonical SMILES for 1-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-phenylurea is O=C(NCC1CN(C2CC2)C(=O)O1)Nc1ccccc1.
What is the InChIKey of 1-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-phenylurea?
The InChIKey is RZOOWJHNYBXQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c18-13(16-10-4-2-1-3-5-10)15-8-12-9-17(11-6-7-11)14(19)20-12/h1-5,11-12H,6-9H2,(H2,15,16,18).
What are the key properties of 1-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-phenylurea?
1-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-phenylurea has a molecular weight of 275.31 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-phenylurea is sourced from PubChem (CID 110315593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).