1-(3-aminophenyl)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea

C12H15N5O2 — CID 106419435

IUPAC1-(3-aminophenyl)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea
SMILESCc1nc(CCNC(=O)Nc2cccc(N)c2)no1
InChIInChI=1S/C12H15N5O2/c1-8-15-11(17-19-8)5-6-14-12(18)16-10-4-2-3-9(13)7-10/h2-4,7H,5-6,13H2,1H3,(H2,14,16,18)
InChIKeyIHIJOKQJHOGELH-UHFFFAOYSA-N
MW261.29 g/mol
LogP1.32
Rot. Bonds4

About 1-(3-aminophenyl)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea

1-(3-aminophenyl)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea (PubChem CID 106419435) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 1-(3-aminophenyl)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3-aminophenyl)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea
PubChem CID106419435
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name1-(3-aminophenyl)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea
SMILESCc1nc(CCNC(=O)Nc2cccc(N)c2)no1
InChIInChI=1S/C12H15N5O2/c1-8-15-11(17-19-8)5-6-14-12(18)16-10-4-2-3-9(13)7-10/h2-4,7H,5-6,13H2,1H3,(H2,14,16,18)
InChIKeyIHIJOKQJHOGELH-UHFFFAOYSA-N
XLogP1.32
TPSA106.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-aminophenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 106401387
1-[4-(1-aminoethyl)phenyl]-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea
CID 106422674
4-amino-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106413248
3-[(3-aminophenyl)carbamoylamino]propanamide
CID 43553830
3-[(3-aminophenyl)carbamoylamino]-N-ethylpropanamide
CID 113410713
3-amino-5-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106413224
1-(3-aminophenyl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 54962764
4-amino-3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 102978698
2-(3-aminophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 106391286
2-methyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]benzoic acid
CID 106402861
1-(3-aminophenyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea
CID 62040735
1-(3-aminophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 54962762

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea?
The IUPAC name of 1-(3-aminophenyl)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea (CID 106419435) is 1-(3-aminophenyl)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea.
What is the SMILES notation for 1-(3-aminophenyl)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea?
The canonical SMILES for 1-(3-aminophenyl)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea is Cc1nc(CCNC(=O)Nc2cccc(N)c2)no1.
What is the InChIKey of 1-(3-aminophenyl)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea?
The InChIKey is IHIJOKQJHOGELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-8-15-11(17-19-8)5-6-14-12(18)16-10-4-2-3-9(13)7-10/h2-4,7H,5-6,13H2,1H3,(H2,14,16,18).
What are the key properties of 1-(3-aminophenyl)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea?
1-(3-aminophenyl)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea has a molecular weight of 261.29 g/mol, XLogP of 1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea is sourced from PubChem (CID 106419435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).