1-(2-hydroxyethylamino)-3-(3-methyl-1,2-oxazol-5-yl)urea

C7H12N4O3 — CID 90203017

IUPAC1-(2-hydroxyethylamino)-3-(3-methyl-1,2-oxazol-5-yl)urea
SMILESCc1cc(NC(=O)NNCCO)on1
InChIInChI=1S/C7H12N4O3/c1-5-4-6(14-11-5)9-7(13)10-8-2-3-12/h4,8,12H,2-3H2,1H3,(H2,9,10,13)
InChIKeyZEKLKFINMWPHOU-UHFFFAOYSA-N
MW200.20 g/mol
LogP-0.40
Rot. Bonds4

About 1-(2-hydroxyethylamino)-3-(3-methyl-1,2-oxazol-5-yl)urea

1-(2-hydroxyethylamino)-3-(3-methyl-1,2-oxazol-5-yl)urea (PubChem CID 90203017) has the molecular formula C7H12N4O3 and a molecular weight of 200.20 g/mol. Its IUPAC name is 1-(2-hydroxyethylamino)-3-(3-methyl-1,2-oxazol-5-yl)urea.

Molecular Properties

Compound Name1-(2-hydroxyethylamino)-3-(3-methyl-1,2-oxazol-5-yl)urea
PubChem CID90203017
Molecular FormulaC7H12N4O3
Molecular Weight200.20 g/mol
Exact Mass200.09
IUPAC Name1-(2-hydroxyethylamino)-3-(3-methyl-1,2-oxazol-5-yl)urea
SMILESCc1cc(NC(=O)NNCCO)on1
InChIInChI=1S/C7H12N4O3/c1-5-4-6(14-11-5)9-7(13)10-8-2-3-12/h4,8,12H,2-3H2,1H3,(H2,9,10,13)
InChIKeyZEKLKFINMWPHOU-UHFFFAOYSA-N
XLogP-0.40
TPSA99.42 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 5-0.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethylamino)-3-(3-methyl-1,2-oxazol-5-yl)urea?
The IUPAC name of 1-(2-hydroxyethylamino)-3-(3-methyl-1,2-oxazol-5-yl)urea (CID 90203017) is 1-(2-hydroxyethylamino)-3-(3-methyl-1,2-oxazol-5-yl)urea.
What is the SMILES notation for 1-(2-hydroxyethylamino)-3-(3-methyl-1,2-oxazol-5-yl)urea?
The canonical SMILES for 1-(2-hydroxyethylamino)-3-(3-methyl-1,2-oxazol-5-yl)urea is Cc1cc(NC(=O)NNCCO)on1.
What is the InChIKey of 1-(2-hydroxyethylamino)-3-(3-methyl-1,2-oxazol-5-yl)urea?
The InChIKey is ZEKLKFINMWPHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O3/c1-5-4-6(14-11-5)9-7(13)10-8-2-3-12/h4,8,12H,2-3H2,1H3,(H2,9,10,13).
What are the key properties of 1-(2-hydroxyethylamino)-3-(3-methyl-1,2-oxazol-5-yl)urea?
1-(2-hydroxyethylamino)-3-(3-methyl-1,2-oxazol-5-yl)urea has a molecular weight of 200.20 g/mol, XLogP of -0.40, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethylamino)-3-(3-methyl-1,2-oxazol-5-yl)urea is sourced from PubChem (CID 90203017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).