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1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea

C13H21N3O3 — CID 111618886

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea
SMILESCC(C)c1cc(CNC(=O)NCC2(CO)CC2)on1
InChIInChI=1S/C13H21N3O3/c1-9(2)11-5-10(19-16-11)6-14-12(18)15-7-13(8-17)3-4-13/h5,9,17H,3-4,6-8H2,1-2H3,(H2,14,15,18)
InChIKeyWPFWMGTYELRQTN-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.37
Rot. Bonds6

About 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea

1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea (PubChem CID 111618886) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea
PubChem CID111618886
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea
SMILESCC(C)c1cc(CNC(=O)NCC2(CO)CC2)on1
InChIInChI=1S/C13H21N3O3/c1-9(2)11-5-10(19-16-11)6-14-12(18)15-7-13(8-17)3-4-13/h5,9,17H,3-4,6-8H2,1-2H3,(H2,14,15,18)
InChIKeyWPFWMGTYELRQTN-UHFFFAOYSA-N
XLogP1.37
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea?
The IUPAC name of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea (CID 111618886) is 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea.
What is the SMILES notation for 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea?
The canonical SMILES for 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea is CC(C)c1cc(CNC(=O)NCC2(CO)CC2)on1.
What is the InChIKey of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea?
The InChIKey is WPFWMGTYELRQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9(2)11-5-10(19-16-11)6-14-12(18)15-7-13(8-17)3-4-13/h5,9,17H,3-4,6-8H2,1-2H3,(H2,14,15,18).
What are the key properties of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea?
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea has a molecular weight of 267.33 g/mol, XLogP of 1.37, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea is sourced from PubChem (CID 111618886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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