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

C10H18N4O2 — CID 108814065

IUPAC1-[2-(diethylamino)ethyl]-3-(1,2-oxazol-5-yl)urea
SMILESCCN(CC)CCNC(=O)Nc1ccno1
InChIInChI=1S/C10H18N4O2/c1-3-14(4-2)8-7-11-10(15)13-9-5-6-12-16-9/h5-6H,3-4,7-8H2,1-2H3,(H2,11,13,15)
InChIKeyAJJLXUIXTPOVQW-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.14
Rot. Bonds6

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

1-[2-(diethylamino)ethyl]-3-(1,2-oxazol-5-yl)urea (PubChem CID 108814065) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-3-(1,2-oxazol-5-yl)urea.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-3-(1,2-oxazol-5-yl)urea
PubChem CID108814065
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name1-[2-(diethylamino)ethyl]-3-(1,2-oxazol-5-yl)urea
SMILESCCN(CC)CCNC(=O)Nc1ccno1
InChIInChI=1S/C10H18N4O2/c1-3-14(4-2)8-7-11-10(15)13-9-5-6-12-16-9/h5-6H,3-4,7-8H2,1-2H3,(H2,11,13,15)
InChIKeyAJJLXUIXTPOVQW-UHFFFAOYSA-N
XLogP1.14
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-3-(1,2-oxazol-5-yl)urea?
The IUPAC name of 1-[2-(diethylamino)ethyl]-3-(1,2-oxazol-5-yl)urea (CID 108814065) is 1-[2-(diethylamino)ethyl]-3-(1,2-oxazol-5-yl)urea.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-3-(1,2-oxazol-5-yl)urea?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-3-(1,2-oxazol-5-yl)urea is CCN(CC)CCNC(=O)Nc1ccno1.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-3-(1,2-oxazol-5-yl)urea?
The InChIKey is AJJLXUIXTPOVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-3-14(4-2)8-7-11-10(15)13-9-5-6-12-16-9/h5-6H,3-4,7-8H2,1-2H3,(H2,11,13,15).
What are the key properties of 1-[2-(diethylamino)ethyl]-3-(1,2-oxazol-5-yl)urea?
1-[2-(diethylamino)ethyl]-3-(1,2-oxazol-5-yl)urea has a molecular weight of 226.28 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-3-(1,2-oxazol-5-yl)urea is sourced from PubChem (CID 108814065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).