1-[[(2R,3S,4R)-3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]-3-phenylurea

C15H23N3O3 — CID 75536766

IUPAC1-[[(2R,3S,4R)-3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]-3-phenylurea
SMILESCC(C)N[C@@H]1CO[C@H](CNC(=O)Nc2ccccc2)[C@H]1O
InChIInChI=1S/C15H23N3O3/c1-10(2)17-12-9-21-13(14(12)19)8-16-15(20)18-11-6-4-3-5-7-11/h3-7,10,12-14,17,19H,8-9H2,1-2H3,(H2,16,18,20)/t12-,13-,14+/m1/s1
InChIKeyFQMZDWWFXOWMLA-MCIONIFRSA-N
MW293.37 g/mol
LogP0.93
Rot. Bonds5

About 1-[[(2R,3S,4R)-3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]-3-phenylurea

1-[[(2R,3S,4R)-3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]-3-phenylurea (PubChem CID 75536766) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[[(2R,3S,4R)-3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]-3-phenylurea.

Molecular Properties

Compound Name1-[[(2R,3S,4R)-3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]-3-phenylurea
PubChem CID75536766
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name1-[[(2R,3S,4R)-3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]-3-phenylurea
SMILESCC(C)N[C@@H]1CO[C@H](CNC(=O)Nc2ccccc2)[C@H]1O
InChIInChI=1S/C15H23N3O3/c1-10(2)17-12-9-21-13(14(12)19)8-16-15(20)18-11-6-4-3-5-7-11/h3-7,10,12-14,17,19H,8-9H2,1-2H3,(H2,16,18,20)/t12-,13-,14+/m1/s1
InChIKeyFQMZDWWFXOWMLA-MCIONIFRSA-N
XLogP0.93
TPSA82.62 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2R,3S,4R)-3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]-3-phenylurea?
The IUPAC name of 1-[[(2R,3S,4R)-3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]-3-phenylurea (CID 75536766) is 1-[[(2R,3S,4R)-3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]-3-phenylurea.
What is the SMILES notation for 1-[[(2R,3S,4R)-3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]-3-phenylurea?
The canonical SMILES for 1-[[(2R,3S,4R)-3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]-3-phenylurea is CC(C)N[C@@H]1CO[C@H](CNC(=O)Nc2ccccc2)[C@H]1O.
What is the InChIKey of 1-[[(2R,3S,4R)-3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]-3-phenylurea?
The InChIKey is FQMZDWWFXOWMLA-MCIONIFRSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10(2)17-12-9-21-13(14(12)19)8-16-15(20)18-11-6-4-3-5-7-11/h3-7,10,12-14,17,19H,8-9H2,1-2H3,(H2,16,18,20)/t12-,13-,14+/m1/s1.
What are the key properties of 1-[[(2R,3S,4R)-3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]-3-phenylurea?
1-[[(2R,3S,4R)-3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]-3-phenylurea has a molecular weight of 293.37 g/mol, XLogP of 0.93, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R,3S,4R)-3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]-3-phenylurea is sourced from PubChem (CID 75536766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).