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

C13H16N4O2 — CID 61340542

IUPAC1-[3-(1-aminoethyl)phenyl]-3-(3-methyl-1,2-oxazol-5-yl)urea
SMILESCc1cc(NC(=O)Nc2cccc(C(C)N)c2)on1
InChIInChI=1S/C13H16N4O2/c1-8-6-12(19-17-8)16-13(18)15-11-5-3-4-10(7-11)9(2)14/h3-7,9H,14H2,1-2H3,(H2,15,16,18)
InChIKeyHGMODCYRKNIENN-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.65
Rot. Bonds3

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

1-[3-(1-aminoethyl)phenyl]-3-(3-methyl-1,2-oxazol-5-yl)urea (PubChem CID 61340542) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-[3-(1-aminoethyl)phenyl]-3-(3-methyl-1,2-oxazol-5-yl)urea.

Molecular Properties

Compound Name1-[3-(1-aminoethyl)phenyl]-3-(3-methyl-1,2-oxazol-5-yl)urea
PubChem CID61340542
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name1-[3-(1-aminoethyl)phenyl]-3-(3-methyl-1,2-oxazol-5-yl)urea
SMILESCc1cc(NC(=O)Nc2cccc(C(C)N)c2)on1
InChIInChI=1S/C13H16N4O2/c1-8-6-12(19-17-8)16-13(18)15-11-5-3-4-10(7-11)9(2)14/h3-7,9H,14H2,1-2H3,(H2,15,16,18)
InChIKeyHGMODCYRKNIENN-UHFFFAOYSA-N
XLogP2.65
TPSA93.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-aminoethyl)phenyl]-3-(3-methyl-1,2-oxazol-5-yl)urea?
The IUPAC name of 1-[3-(1-aminoethyl)phenyl]-3-(3-methyl-1,2-oxazol-5-yl)urea (CID 61340542) is 1-[3-(1-aminoethyl)phenyl]-3-(3-methyl-1,2-oxazol-5-yl)urea.
What is the SMILES notation for 1-[3-(1-aminoethyl)phenyl]-3-(3-methyl-1,2-oxazol-5-yl)urea?
The canonical SMILES for 1-[3-(1-aminoethyl)phenyl]-3-(3-methyl-1,2-oxazol-5-yl)urea is Cc1cc(NC(=O)Nc2cccc(C(C)N)c2)on1.
What is the InChIKey of 1-[3-(1-aminoethyl)phenyl]-3-(3-methyl-1,2-oxazol-5-yl)urea?
The InChIKey is HGMODCYRKNIENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-8-6-12(19-17-8)16-13(18)15-11-5-3-4-10(7-11)9(2)14/h3-7,9H,14H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-[3-(1-aminoethyl)phenyl]-3-(3-methyl-1,2-oxazol-5-yl)urea?
1-[3-(1-aminoethyl)phenyl]-3-(3-methyl-1,2-oxazol-5-yl)urea has a molecular weight of 260.30 g/mol, XLogP of 2.65, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-aminoethyl)phenyl]-3-(3-methyl-1,2-oxazol-5-yl)urea is sourced from PubChem (CID 61340542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).