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

C8H13N3O2 — CID 53017228

IUPAC1-ethyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
SMILESCCNC(=O)NCc1cc(C)no1
InChIInChI=1S/C8H13N3O2/c1-3-9-8(12)10-5-7-4-6(2)11-13-7/h4H,3,5H2,1-2H3,(H2,9,10,12)
InChIKeyHAAIQPHAWJWLKF-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.80
Rot. Bonds3

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

1-ethyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea (PubChem CID 53017228) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-ethyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
PubChem CID53017228
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name1-ethyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
SMILESCCNC(=O)NCc1cc(C)no1
InChIInChI=1S/C8H13N3O2/c1-3-9-8(12)10-5-7-4-6(2)11-13-7/h4H,3,5H2,1-2H3,(H2,9,10,12)
InChIKeyHAAIQPHAWJWLKF-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

1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 53017221
1-ethyl-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea
CID 71994479
ethyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate
CID 62189875
methyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate
CID 115598489
1-(cyclooctylmethyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 71881577
3-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoylamino]butanoic acid
CID 81069651
3-chloro-2-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]propanamide
CID 62726666
2,2,3-trimethyl-3-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoylamino]butanoic acid
CID 65263958
4-[[(3-methyl-1,2-oxazol-5-yl)methylcarbamoylamino]methyl]oxane-4-carboxylic acid
CID 115440478
N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanecarboxamide
CID 53017058
3-bromo-N-[(3-methyl-1,2-oxazol-5-yl)methyl]prop-2-ynamide
CID 130901679
2-hydroxyethyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate
CID 79348723

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea?
The IUPAC name of 1-ethyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea (CID 53017228) is 1-ethyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea.
What is the SMILES notation for 1-ethyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea?
The canonical SMILES for 1-ethyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea is CCNC(=O)NCc1cc(C)no1.
What is the InChIKey of 1-ethyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea?
The InChIKey is HAAIQPHAWJWLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-3-9-8(12)10-5-7-4-6(2)11-13-7/h4H,3,5H2,1-2H3,(H2,9,10,12).
What are the key properties of 1-ethyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea?
1-ethyl-3-[(3-methyl-1,2-oxazol-5-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-[(3-methyl-1,2-oxazol-5-yl)methyl]urea is sourced from PubChem (CID 53017228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).