2-[(4-amino-1,3-benzoxazol-2-yl)amino]ethyl carbamate

C10H12N4O3 — CID 83202383

IUPAC2-[(4-amino-1,3-benzoxazol-2-yl)amino]ethyl carbamate
SMILESNC(=O)OCCNc1nc2c(N)cccc2o1
InChIInChI=1S/C10H12N4O3/c11-6-2-1-3-7-8(6)14-10(17-7)13-4-5-16-9(12)15/h1-3H,4-5,11H2,(H2,12,15)(H,13,14)
InChIKeyXMTPWIGANQWZBM-UHFFFAOYSA-N
MW236.23 g/mol
LogP0.92
Rot. Bonds4

About 2-[(4-amino-1,3-benzoxazol-2-yl)amino]ethyl carbamate

2-[(4-amino-1,3-benzoxazol-2-yl)amino]ethyl carbamate (PubChem CID 83202383) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is 2-[(4-amino-1,3-benzoxazol-2-yl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(4-amino-1,3-benzoxazol-2-yl)amino]ethyl carbamate
PubChem CID83202383
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name2-[(4-amino-1,3-benzoxazol-2-yl)amino]ethyl carbamate
SMILESNC(=O)OCCNc1nc2c(N)cccc2o1
InChIInChI=1S/C10H12N4O3/c11-6-2-1-3-7-8(6)14-10(17-7)13-4-5-16-9(12)15/h1-3H,4-5,11H2,(H2,12,15)(H,13,14)
InChIKeyXMTPWIGANQWZBM-UHFFFAOYSA-N
XLogP0.92
TPSA116.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1,3-benzoxazol-2-yl)amino]ethyl carbamate?
The IUPAC name of 2-[(4-amino-1,3-benzoxazol-2-yl)amino]ethyl carbamate (CID 83202383) is 2-[(4-amino-1,3-benzoxazol-2-yl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(4-amino-1,3-benzoxazol-2-yl)amino]ethyl carbamate?
The canonical SMILES for 2-[(4-amino-1,3-benzoxazol-2-yl)amino]ethyl carbamate is NC(=O)OCCNc1nc2c(N)cccc2o1.
What is the InChIKey of 2-[(4-amino-1,3-benzoxazol-2-yl)amino]ethyl carbamate?
The InChIKey is XMTPWIGANQWZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c11-6-2-1-3-7-8(6)14-10(17-7)13-4-5-16-9(12)15/h1-3H,4-5,11H2,(H2,12,15)(H,13,14).
What are the key properties of 2-[(4-amino-1,3-benzoxazol-2-yl)amino]ethyl carbamate?
2-[(4-amino-1,3-benzoxazol-2-yl)amino]ethyl carbamate has a molecular weight of 236.23 g/mol, XLogP of 0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1,3-benzoxazol-2-yl)amino]ethyl carbamate is sourced from PubChem (CID 83202383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).