N-[1-(aminomethyl)cyclopentyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

C12H19N3O2 — CID 81478748

IUPACN-[1-(aminomethyl)cyclopentyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC2(CN)CCCC2)o1
InChIInChI=1S/C12H19N3O2/c1-8-10(17-9(2)14-8)11(16)15-12(7-13)5-3-4-6-12/h3-7,13H2,1-2H3,(H,15,16)
InChIKeyRRYHXCLFYIEPFT-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.29
Rot. Bonds3

About N-[1-(aminomethyl)cyclopentyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

N-[1-(aminomethyl)cyclopentyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 81478748) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID81478748
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC2(CN)CCCC2)o1
InChIInChI=1S/C12H19N3O2/c1-8-10(17-9(2)14-8)11(16)15-12(7-13)5-3-4-6-12/h3-7,13H2,1-2H3,(H,15,16)
InChIKeyRRYHXCLFYIEPFT-UHFFFAOYSA-N
XLogP1.29
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 81478748) is N-[1-(aminomethyl)cyclopentyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)NC2(CN)CCCC2)o1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is RRYHXCLFYIEPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-10(17-9(2)14-8)11(16)15-12(7-13)5-3-4-6-12/h3-7,13H2,1-2H3,(H,15,16).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-[1-(aminomethyl)cyclopentyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 81478748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).