N-[[(1R,2R)-2-(2-ethyl-1,3-benzoxazol-7-yl)cyclopropyl]methyl]cyclopropanecarboxamide

C17H20N2O2 — CID 10016733

IUPACN-[[(1R,2R)-2-(2-ethyl-1,3-benzoxazol-7-yl)cyclopropyl]methyl]cyclopropanecarboxamide
SMILESCCc1nc2cccc([C@@H]3C[C@H]3CNC(=O)C3CC3)c2o1
InChIInChI=1S/C17H20N2O2/c1-2-15-19-14-5-3-4-12(16(14)21-15)13-8-11(13)9-18-17(20)10-6-7-10/h3-5,10-11,13H,2,6-9H2,1H3,(H,18,20)/t11-,13+/m0/s1
InChIKeyIWJWBQBEAXVCHX-WCQYABFASA-N
MW284.36 g/mol
LogP3.02
Rot. Bonds5

About N-[[(1R,2R)-2-(2-ethyl-1,3-benzoxazol-7-yl)cyclopropyl]methyl]cyclopropanecarboxamide

N-[[(1R,2R)-2-(2-ethyl-1,3-benzoxazol-7-yl)cyclopropyl]methyl]cyclopropanecarboxamide (PubChem CID 10016733) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[[(1R,2R)-2-(2-ethyl-1,3-benzoxazol-7-yl)cyclopropyl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[(1R,2R)-2-(2-ethyl-1,3-benzoxazol-7-yl)cyclopropyl]methyl]cyclopropanecarboxamide
PubChem CID10016733
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-[[(1R,2R)-2-(2-ethyl-1,3-benzoxazol-7-yl)cyclopropyl]methyl]cyclopropanecarboxamide
SMILESCCc1nc2cccc([C@@H]3C[C@H]3CNC(=O)C3CC3)c2o1
InChIInChI=1S/C17H20N2O2/c1-2-15-19-14-5-3-4-12(16(14)21-15)13-8-11(13)9-18-17(20)10-6-7-10/h3-5,10-11,13H,2,6-9H2,1H3,(H,18,20)/t11-,13+/m0/s1
InChIKeyIWJWBQBEAXVCHX-WCQYABFASA-N
XLogP3.02
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2R)-2-(2-ethyl-1,3-benzoxazol-7-yl)cyclopropyl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[(1R,2R)-2-(2-ethyl-1,3-benzoxazol-7-yl)cyclopropyl]methyl]cyclopropanecarboxamide (CID 10016733) is N-[[(1R,2R)-2-(2-ethyl-1,3-benzoxazol-7-yl)cyclopropyl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[(1R,2R)-2-(2-ethyl-1,3-benzoxazol-7-yl)cyclopropyl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[(1R,2R)-2-(2-ethyl-1,3-benzoxazol-7-yl)cyclopropyl]methyl]cyclopropanecarboxamide is CCc1nc2cccc([C@@H]3C[C@H]3CNC(=O)C3CC3)c2o1.
What is the InChIKey of N-[[(1R,2R)-2-(2-ethyl-1,3-benzoxazol-7-yl)cyclopropyl]methyl]cyclopropanecarboxamide?
The InChIKey is IWJWBQBEAXVCHX-WCQYABFASA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-15-19-14-5-3-4-12(16(14)21-15)13-8-11(13)9-18-17(20)10-6-7-10/h3-5,10-11,13H,2,6-9H2,1H3,(H,18,20)/t11-,13+/m0/s1.
What are the key properties of N-[[(1R,2R)-2-(2-ethyl-1,3-benzoxazol-7-yl)cyclopropyl]methyl]cyclopropanecarboxamide?
N-[[(1R,2R)-2-(2-ethyl-1,3-benzoxazol-7-yl)cyclopropyl]methyl]cyclopropanecarboxamide has a molecular weight of 284.36 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2R)-2-(2-ethyl-1,3-benzoxazol-7-yl)cyclopropyl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 10016733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).