1-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(oxolan-3-yl)urea

C10H15N3O3 — CID 106370612

IUPAC1-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(oxolan-3-yl)urea
SMILESCc1cnc(CNC(=O)NC2CCOC2)o1
InChIInChI=1S/C10H15N3O3/c1-7-4-11-9(16-7)5-12-10(14)13-8-2-3-15-6-8/h4,8H,2-3,5-6H2,1H3,(H2,12,13,14)
InChIKeyGYMQDAKOEMUHOX-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.57
Rot. Bonds3

About 1-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(oxolan-3-yl)urea

1-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(oxolan-3-yl)urea (PubChem CID 106370612) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(oxolan-3-yl)urea.

Molecular Properties

Compound Name1-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(oxolan-3-yl)urea
PubChem CID106370612
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name1-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(oxolan-3-yl)urea
SMILESCc1cnc(CNC(=O)NC2CCOC2)o1
InChIInChI=1S/C10H15N3O3/c1-7-4-11-9(16-7)5-12-10(14)13-8-2-3-15-6-8/h4,8H,2-3,5-6H2,1H3,(H2,12,13,14)
InChIKeyGYMQDAKOEMUHOX-UHFFFAOYSA-N
XLogP0.57
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea
CID 110660494
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 106369698
1-ethyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea
CID 103738715
2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetic acid
CID 106374600
1-cyclopentyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]thiourea
CID 106370549
1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]cyclopropane-1-carboxylic acid
CID 106374467
3-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]propanamide
CID 106375343
1-[(2-hydroxyphenyl)methyl]-3-(oxolan-3-yl)urea
CID 115759359
1-[(1-methylpyrrol-3-yl)methyl]-3-(oxolan-3-yl)urea
CID 103839161
2,2,3-trimethyl-3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid
CID 106374565
1-[(5-chlorothiophen-2-yl)methyl]-3-(oxolan-3-yl)urea
CID 115758267
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 83622965

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(oxolan-3-yl)urea?
The IUPAC name of 1-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(oxolan-3-yl)urea (CID 106370612) is 1-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(oxolan-3-yl)urea.
What is the SMILES notation for 1-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(oxolan-3-yl)urea?
The canonical SMILES for 1-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(oxolan-3-yl)urea is Cc1cnc(CNC(=O)NC2CCOC2)o1.
What is the InChIKey of 1-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(oxolan-3-yl)urea?
The InChIKey is GYMQDAKOEMUHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-7-4-11-9(16-7)5-12-10(14)13-8-2-3-15-6-8/h4,8H,2-3,5-6H2,1H3,(H2,12,13,14).
What are the key properties of 1-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(oxolan-3-yl)urea?
1-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(oxolan-3-yl)urea has a molecular weight of 225.25 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(oxolan-3-yl)urea is sourced from PubChem (CID 106370612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).