N-(3-aminocyclopentyl)-2-methyl-1,3-benzoxazole-6-carboxamide

C14H17N3O2 — CID 115272850

IUPACN-(3-aminocyclopentyl)-2-methyl-1,3-benzoxazole-6-carboxamide
SMILESCc1nc2ccc(C(=O)NC3CCC(N)C3)cc2o1
InChIInChI=1S/C14H17N3O2/c1-8-16-12-5-2-9(6-13(12)19-8)14(18)17-11-4-3-10(15)7-11/h2,5-6,10-11H,3-4,7,15H2,1H3,(H,17,18)
InChIKeyJXJGAPGAYYMXIK-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.75
Rot. Bonds2

About N-(3-aminocyclopentyl)-2-methyl-1,3-benzoxazole-6-carboxamide

N-(3-aminocyclopentyl)-2-methyl-1,3-benzoxazole-6-carboxamide (PubChem CID 115272850) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(3-aminocyclopentyl)-2-methyl-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound NameN-(3-aminocyclopentyl)-2-methyl-1,3-benzoxazole-6-carboxamide
PubChem CID115272850
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(3-aminocyclopentyl)-2-methyl-1,3-benzoxazole-6-carboxamide
SMILESCc1nc2ccc(C(=O)NC3CCC(N)C3)cc2o1
InChIInChI=1S/C14H17N3O2/c1-8-16-12-5-2-9(6-13(12)19-8)14(18)17-11-4-3-10(15)7-11/h2,5-6,10-11H,3-4,7,15H2,1H3,(H,17,18)
InChIKeyJXJGAPGAYYMXIK-UHFFFAOYSA-N
XLogP1.75
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminocyclopentyl)-2-methyl-3H-benzimidazole-5-carboxamide
CID 115272852
N-[(3R,5S)-1-(cyclopropylmethyl)-5-(methylcarbamoyl)pyrrolidin-3-yl]-2-methyl-1,3-benzoxazole-6-carboxamide
CID 72858565
2-(cyclopropylamino)-1-(2-methyl-1,3-benzoxazol-6-yl)ethanone
CID 82495046
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-methyl-1,3-benzoxazole-6-carboxamide
CID 23529176
cyclopropyl-(2-methyl-1,3-benzoxazol-6-yl)methanone
CID 82491485
2-methyl-1,3-benzoxazole-6-carboxamide
CID 82490560
N-(4-carbamoylphenyl)-2-methyl-1,3-benzoxazole-6-carboxamide
CID 110765302
N-(3-aminocyclopentyl)-3,4-dihydro-2H-chromene-6-carboxamide
CID 115272843
2-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1,3-benzoxazole-6-carboxamide
CID 154736632
N-(4-aminocyclohexyl)-3-hydroxy-4-methylbenzamide
CID 43653129
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methyl-1,3-benzoxazole-6-carboxamide;(E)-but-2-enoic acid
CID 91116087
4-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1,4-diamine
CID 79724752

Frequently Asked Questions

What is the IUPAC name of N-(3-aminocyclopentyl)-2-methyl-1,3-benzoxazole-6-carboxamide?
The IUPAC name of N-(3-aminocyclopentyl)-2-methyl-1,3-benzoxazole-6-carboxamide (CID 115272850) is N-(3-aminocyclopentyl)-2-methyl-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for N-(3-aminocyclopentyl)-2-methyl-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for N-(3-aminocyclopentyl)-2-methyl-1,3-benzoxazole-6-carboxamide is Cc1nc2ccc(C(=O)NC3CCC(N)C3)cc2o1.
What is the InChIKey of N-(3-aminocyclopentyl)-2-methyl-1,3-benzoxazole-6-carboxamide?
The InChIKey is JXJGAPGAYYMXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-8-16-12-5-2-9(6-13(12)19-8)14(18)17-11-4-3-10(15)7-11/h2,5-6,10-11H,3-4,7,15H2,1H3,(H,17,18).
What are the key properties of N-(3-aminocyclopentyl)-2-methyl-1,3-benzoxazole-6-carboxamide?
N-(3-aminocyclopentyl)-2-methyl-1,3-benzoxazole-6-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminocyclopentyl)-2-methyl-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 115272850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).