N-[1-(aminomethyl)cyclopentyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide

C12H19N3O3 — CID 66158360

IUPACN-[1-(aminomethyl)cyclopentyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)NC2(CN)CCCC2)no1
InChIInChI=1S/C12H19N3O3/c1-17-7-9-6-10(15-18-9)11(16)14-12(8-13)4-2-3-5-12/h6H,2-5,7-8,13H2,1H3,(H,14,16)
InChIKeyQJFZRGSFNRKWHN-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.82
Rot. Bonds5

About N-[1-(aminomethyl)cyclopentyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide

N-[1-(aminomethyl)cyclopentyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide (PubChem CID 66158360) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
PubChem CID66158360
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)NC2(CN)CCCC2)no1
InChIInChI=1S/C12H19N3O3/c1-17-7-9-6-10(15-18-9)11(16)14-12(8-13)4-2-3-5-12/h6H,2-5,7-8,13H2,1H3,(H,14,16)
InChIKeyQJFZRGSFNRKWHN-UHFFFAOYSA-N
XLogP0.82
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide (CID 66158360) is N-[1-(aminomethyl)cyclopentyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide is COCc1cc(C(=O)NC2(CN)CCCC2)no1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is QJFZRGSFNRKWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-17-7-9-6-10(15-18-9)11(16)14-12(8-13)4-2-3-5-12/h6H,2-5,7-8,13H2,1H3,(H,14,16).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
N-[1-(aminomethyl)cyclopentyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 253.30 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 66158360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).