1-(2-cyclopropyl-2-methoxypropyl)-3-[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]urea

C16H21N3O4 — CID 167976831

IUPAC1-(2-cyclopropyl-2-methoxypropyl)-3-[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]urea
SMILESCOC(C)(CNC(=O)Nc1cc(-c2ccoc2C)on1)C1CC1
InChIInChI=1S/C16H21N3O4/c1-10-12(6-7-22-10)13-8-14(19-23-13)18-15(20)17-9-16(2,21-3)11-4-5-11/h6-8,11H,4-5,9H2,1-3H3,(H2,17,18,19,20)
InChIKeyBIMBMSABLRHOMB-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.18
Rot. Bonds6

About 1-(2-cyclopropyl-2-methoxypropyl)-3-[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]urea

1-(2-cyclopropyl-2-methoxypropyl)-3-[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]urea (PubChem CID 167976831) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is 1-(2-cyclopropyl-2-methoxypropyl)-3-[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]urea.

Molecular Properties

Compound Name1-(2-cyclopropyl-2-methoxypropyl)-3-[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]urea
PubChem CID167976831
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name1-(2-cyclopropyl-2-methoxypropyl)-3-[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]urea
SMILESCOC(C)(CNC(=O)Nc1cc(-c2ccoc2C)on1)C1CC1
InChIInChI=1S/C16H21N3O4/c1-10-12(6-7-22-10)13-8-14(19-23-13)18-15(20)17-9-16(2,21-3)11-4-5-11/h6-8,11H,4-5,9H2,1-3H3,(H2,17,18,19,20)
InChIKeyBIMBMSABLRHOMB-UHFFFAOYSA-N
XLogP3.18
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]-3-(1-piperidin-1-ylpropan-2-yl)urea
CID 136537539
1-[[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122091880
1-[1-(4-chlorophenyl)pyrazol-3-yl]-3-(2-cyclopropyl-2-methoxypropyl)urea
CID 146135202
3-(1H-indol-5-yl)-N-[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]propanamide
CID 146090997
methyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]acetate
CID 13489713
1-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 24657964
1-(2-cyclohexylethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 6460835
1-(oxolan-2-ylmethyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812547
N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 71781539
(2S)-2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 8725706
1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3-(2,2-dimethylpropyl)urea
CID 110669925
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea
CID 111976377

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-2-methoxypropyl)-3-[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]urea?
The IUPAC name of 1-(2-cyclopropyl-2-methoxypropyl)-3-[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]urea (CID 167976831) is 1-(2-cyclopropyl-2-methoxypropyl)-3-[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]urea.
What is the SMILES notation for 1-(2-cyclopropyl-2-methoxypropyl)-3-[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]urea?
The canonical SMILES for 1-(2-cyclopropyl-2-methoxypropyl)-3-[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]urea is COC(C)(CNC(=O)Nc1cc(-c2ccoc2C)on1)C1CC1.
What is the InChIKey of 1-(2-cyclopropyl-2-methoxypropyl)-3-[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]urea?
The InChIKey is BIMBMSABLRHOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-10-12(6-7-22-10)13-8-14(19-23-13)18-15(20)17-9-16(2,21-3)11-4-5-11/h6-8,11H,4-5,9H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 1-(2-cyclopropyl-2-methoxypropyl)-3-[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]urea?
1-(2-cyclopropyl-2-methoxypropyl)-3-[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]urea has a molecular weight of 319.36 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-2-methoxypropyl)-3-[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]urea is sourced from PubChem (CID 167976831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).