1-[(3-amino-6-propylpyrazin-2-yl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea

C16H18N6O3 — CID 122194206

IUPAC1-[(3-amino-6-propylpyrazin-2-yl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea
SMILESCCCc1cnc(N)c(CNC(=O)Nc2ccc3[nH]c(=O)oc3c2)n1
InChIInChI=1S/C16H18N6O3/c1-2-3-10-7-18-14(17)12(20-10)8-19-15(23)21-9-4-5-11-13(6-9)25-16(24)22-11/h4-7H,2-3,8H2,1H3,(H2,17,18)(H,22,24)(H2,19,21,23)
InChIKeyPUZYXJOZGPCZLV-UHFFFAOYSA-N
MW342.36 g/mol
LogP1.77
Rot. Bonds5

About 1-[(3-amino-6-propylpyrazin-2-yl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea

1-[(3-amino-6-propylpyrazin-2-yl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea (PubChem CID 122194206) has the molecular formula C16H18N6O3 and a molecular weight of 342.36 g/mol. Its IUPAC name is 1-[(3-amino-6-propylpyrazin-2-yl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea.

Molecular Properties

Compound Name1-[(3-amino-6-propylpyrazin-2-yl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea
PubChem CID122194206
Molecular FormulaC16H18N6O3
Molecular Weight342.36 g/mol
Exact Mass342.14
IUPAC Name1-[(3-amino-6-propylpyrazin-2-yl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea
SMILESCCCc1cnc(N)c(CNC(=O)Nc2ccc3[nH]c(=O)oc3c2)n1
InChIInChI=1S/C16H18N6O3/c1-2-3-10-7-18-14(17)12(20-10)8-19-15(23)21-9-4-5-11-13(6-9)25-16(24)22-11/h4-7H,2-3,8H2,1H3,(H2,17,18)(H,22,24)(H2,19,21,23)
InChIKeyPUZYXJOZGPCZLV-UHFFFAOYSA-N
XLogP1.77
TPSA138.93 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-6-propylpyrazin-2-yl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea?
The IUPAC name of 1-[(3-amino-6-propylpyrazin-2-yl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea (CID 122194206) is 1-[(3-amino-6-propylpyrazin-2-yl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea.
What is the SMILES notation for 1-[(3-amino-6-propylpyrazin-2-yl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea?
The canonical SMILES for 1-[(3-amino-6-propylpyrazin-2-yl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea is CCCc1cnc(N)c(CNC(=O)Nc2ccc3[nH]c(=O)oc3c2)n1.
What is the InChIKey of 1-[(3-amino-6-propylpyrazin-2-yl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea?
The InChIKey is PUZYXJOZGPCZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O3/c1-2-3-10-7-18-14(17)12(20-10)8-19-15(23)21-9-4-5-11-13(6-9)25-16(24)22-11/h4-7H,2-3,8H2,1H3,(H2,17,18)(H,22,24)(H2,19,21,23).
What are the key properties of 1-[(3-amino-6-propylpyrazin-2-yl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea?
1-[(3-amino-6-propylpyrazin-2-yl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea has a molecular weight of 342.36 g/mol, XLogP of 1.77, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-6-propylpyrazin-2-yl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea is sourced from PubChem (CID 122194206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).