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

C16H22ClN3O2 — CID 119725962

IUPAC1-(aminomethyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride
SMILESCCc1nc2cc(NC(=O)C3(CN)CCCC3)ccc2o1.Cl
InChIInChI=1S/C16H21N3O2.ClH/c1-2-14-19-12-9-11(5-6-13(12)21-14)18-15(20)16(10-17)7-3-4-8-16;/h5-6,9H,2-4,7-8,10,17H2,1H3,(H,18,20);1H
InChIKeyNYAQNXZOPRTPDD-UHFFFAOYSA-N
MW323.82 g/mol
LogP3.27
Rot. Bonds4

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

1-(aminomethyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119725962) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride
PubChem CID119725962
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC Name1-(aminomethyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride
SMILESCCc1nc2cc(NC(=O)C3(CN)CCCC3)ccc2o1.Cl
InChIInChI=1S/C16H21N3O2.ClH/c1-2-14-19-12-9-11(5-6-13(12)21-14)18-15(20)16(10-17)7-3-4-8-16;/h5-6,9H,2-4,7-8,10,17H2,1H3,(H,18,20);1H
InChIKeyNYAQNXZOPRTPDD-UHFFFAOYSA-N
XLogP3.27
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119290757
1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide;hydrochloride
CID 119725949
N-(2-ethyl-1,3-benzoxazol-5-yl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120622699
(2S)-2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)propanamide;hydrochloride
CID 119290751
6-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)hexanamide
CID 60945929
7-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)heptanamide
CID 60946050
4-(aminomethyl)-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)oxane-4-carboxamide;hydrochloride
CID 120924638
3-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-2-methoxypropanamide
CID 106111892
1-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]cyclohexane-1-carboxamide
CID 119341847
4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)benzamide;hydrochloride
CID 75526044
4-(aminomethyl)-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]oxane-4-carboxamide
CID 120927737
2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)butanediamide;hydrochloride
CID 119956615

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 1-(aminomethyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride (CID 119725962) is 1-(aminomethyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-(aminomethyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-(aminomethyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride is CCc1nc2cc(NC(=O)C3(CN)CCCC3)ccc2o1.Cl.
What is the InChIKey of 1-(aminomethyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is NYAQNXZOPRTPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2.ClH/c1-2-14-19-12-9-11(5-6-13(12)21-14)18-15(20)16(10-17)7-3-4-8-16;/h5-6,9H,2-4,7-8,10,17H2,1H3,(H,18,20);1H.
What are the key properties of 1-(aminomethyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride?
1-(aminomethyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 323.82 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119725962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).