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

C8H13N3O2 — CID 103738715

IUPAC1-ethyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea
SMILESCCNC(=O)NCc1ncc(C)o1
InChIInChI=1S/C8H13N3O2/c1-3-9-8(12)11-5-7-10-4-6(2)13-7/h4H,3,5H2,1-2H3,(H2,9,11,12)
InChIKeyUHIKEVHWXFSYSR-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.80
Rot. Bonds3

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

1-ethyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea (PubChem CID 103738715) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-ethyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea
PubChem CID103738715
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name1-ethyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea
SMILESCCNC(=O)NCc1ncc(C)o1
InChIInChI=1S/C8H13N3O2/c1-3-9-8(12)11-5-7-10-4-6(2)13-7/h4H,3,5H2,1-2H3,(H2,9,11,12)
InChIKeyUHIKEVHWXFSYSR-UHFFFAOYSA-N
XLogP0.80
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetic acid
CID 106374600
(2R)-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid
CID 106374415
2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]propanoic acid
CID 106374475
2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]pentanoic acid
CID 106374706
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
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 83622965
1-cyclohexyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea
CID 110660494
5-(ethylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazine-2-carboxamide
CID 106377240
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-sulfanylpropanamide
CID 106377758
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide
CID 103797047
2,2,3-trimethyl-3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid
CID 106374565

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea?
The IUPAC name of 1-ethyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea (CID 103738715) is 1-ethyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea.
What is the SMILES notation for 1-ethyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea?
The canonical SMILES for 1-ethyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea is CCNC(=O)NCc1ncc(C)o1.
What is the InChIKey of 1-ethyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea?
The InChIKey is UHIKEVHWXFSYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-3-9-8(12)11-5-7-10-4-6(2)13-7/h4H,3,5H2,1-2H3,(H2,9,11,12).
What are the key properties of 1-ethyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea?
1-ethyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea has a molecular weight of 183.21 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea is sourced from PubChem (CID 103738715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).