2-amino-3-(7-cyano-1,3-benzoxazol-2-yl)-N-(1-cyanocyclopropyl)prop-2-enamide

C15H11N5O2 — CID 174159519

IUPAC2-amino-3-(7-cyano-1,3-benzoxazol-2-yl)-N-(1-cyanocyclopropyl)prop-2-enamide
SMILESN#Cc1cccc2nc(C=C(N)C(=O)NC3(C#N)CC3)oc12
InChIInChI=1S/C15H11N5O2/c16-7-9-2-1-3-11-13(9)22-12(19-11)6-10(18)14(21)20-15(8-17)4-5-15/h1-3,6H,4-5,18H2,(H,20,21)
InChIKeyOSLGYHFAXIMOFN-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.17
Rot. Bonds3

About 2-amino-3-(7-cyano-1,3-benzoxazol-2-yl)-N-(1-cyanocyclopropyl)prop-2-enamide

2-amino-3-(7-cyano-1,3-benzoxazol-2-yl)-N-(1-cyanocyclopropyl)prop-2-enamide (PubChem CID 174159519) has the molecular formula C15H11N5O2 and a molecular weight of 293.29 g/mol. Its IUPAC name is 2-amino-3-(7-cyano-1,3-benzoxazol-2-yl)-N-(1-cyanocyclopropyl)prop-2-enamide.

Molecular Properties

Compound Name2-amino-3-(7-cyano-1,3-benzoxazol-2-yl)-N-(1-cyanocyclopropyl)prop-2-enamide
PubChem CID174159519
Molecular FormulaC15H11N5O2
Molecular Weight293.29 g/mol
Exact Mass293.09
IUPAC Name2-amino-3-(7-cyano-1,3-benzoxazol-2-yl)-N-(1-cyanocyclopropyl)prop-2-enamide
SMILESN#Cc1cccc2nc(C=C(N)C(=O)NC3(C#N)CC3)oc12
InChIInChI=1S/C15H11N5O2/c16-7-9-2-1-3-11-13(9)22-12(19-11)6-10(18)14(21)20-15(8-17)4-5-15/h1-3,6H,4-5,18H2,(H,20,21)
InChIKeyOSLGYHFAXIMOFN-UHFFFAOYSA-N
XLogP1.17
TPSA128.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(7-cyano-1,3-benzoxazol-2-yl)-N-(1-cyanocyclopropyl)prop-2-enamide?
The IUPAC name of 2-amino-3-(7-cyano-1,3-benzoxazol-2-yl)-N-(1-cyanocyclopropyl)prop-2-enamide (CID 174159519) is 2-amino-3-(7-cyano-1,3-benzoxazol-2-yl)-N-(1-cyanocyclopropyl)prop-2-enamide.
What is the SMILES notation for 2-amino-3-(7-cyano-1,3-benzoxazol-2-yl)-N-(1-cyanocyclopropyl)prop-2-enamide?
The canonical SMILES for 2-amino-3-(7-cyano-1,3-benzoxazol-2-yl)-N-(1-cyanocyclopropyl)prop-2-enamide is N#Cc1cccc2nc(C=C(N)C(=O)NC3(C#N)CC3)oc12.
What is the InChIKey of 2-amino-3-(7-cyano-1,3-benzoxazol-2-yl)-N-(1-cyanocyclopropyl)prop-2-enamide?
The InChIKey is OSLGYHFAXIMOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O2/c16-7-9-2-1-3-11-13(9)22-12(19-11)6-10(18)14(21)20-15(8-17)4-5-15/h1-3,6H,4-5,18H2,(H,20,21).
What are the key properties of 2-amino-3-(7-cyano-1,3-benzoxazol-2-yl)-N-(1-cyanocyclopropyl)prop-2-enamide?
2-amino-3-(7-cyano-1,3-benzoxazol-2-yl)-N-(1-cyanocyclopropyl)prop-2-enamide has a molecular weight of 293.29 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(7-cyano-1,3-benzoxazol-2-yl)-N-(1-cyanocyclopropyl)prop-2-enamide is sourced from PubChem (CID 174159519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).