1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride

C15H20ClN3O2 — CID 119290757

IUPAC1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride
SMILESCCc1nc2cc(NC(=O)C3(N)CCCC3)ccc2o1.Cl
InChIInChI=1S/C15H19N3O2.ClH/c1-2-13-18-11-9-10(5-6-12(11)20-13)17-14(19)15(16)7-3-4-8-15;/h5-6,9H,2-4,7-8,16H2,1H3,(H,17,19);1H
InChIKeyCIHAFSZTTSPMKB-UHFFFAOYSA-N
MW309.80 g/mol
LogP3.02
Rot. Bonds3

About 1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride

1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119290757) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride
PubChem CID119290757
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride
SMILESCCc1nc2cc(NC(=O)C3(N)CCCC3)ccc2o1.Cl
InChIInChI=1S/C15H19N3O2.ClH/c1-2-13-18-11-9-10(5-6-12(11)20-13)17-14(19)15(16)7-3-4-8-15;/h5-6,9H,2-4,7-8,16H2,1H3,(H,17,19);1H
InChIKeyCIHAFSZTTSPMKB-UHFFFAOYSA-N
XLogP3.02
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride (CID 119290757) is 1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride is CCc1nc2cc(NC(=O)C3(N)CCCC3)ccc2o1.Cl.
What is the InChIKey of 1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is CIHAFSZTTSPMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2.ClH/c1-2-13-18-11-9-10(5-6-12(11)20-13)17-14(19)15(16)7-3-4-8-15;/h5-6,9H,2-4,7-8,16H2,1H3,(H,17,19);1H.
What are the key properties of 1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride?
1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 309.80 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119290757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).