2-(2-aminopentan-3-yl)-1,3-oxazole-4-carboxamide

C9H15N3O2 — CID 77463883

IUPAC2-(2-aminopentan-3-yl)-1,3-oxazole-4-carboxamide
SMILESCCC(c1nc(C(N)=O)co1)C(C)N
InChIInChI=1S/C9H15N3O2/c1-3-6(5(2)10)9-12-7(4-14-9)8(11)13/h4-6H,3,10H2,1-2H3,(H2,11,13)
InChIKeyXYDZUBFTZIGCDJ-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.61
Rot. Bonds4

About 2-(2-aminopentan-3-yl)-1,3-oxazole-4-carboxamide

2-(2-aminopentan-3-yl)-1,3-oxazole-4-carboxamide (PubChem CID 77463883) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-(2-aminopentan-3-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminopentan-3-yl)-1,3-oxazole-4-carboxamide
PubChem CID77463883
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-(2-aminopentan-3-yl)-1,3-oxazole-4-carboxamide
SMILESCCC(c1nc(C(N)=O)co1)C(C)N
InChIInChI=1S/C9H15N3O2/c1-3-6(5(2)10)9-12-7(4-14-9)8(11)13/h4-6H,3,10H2,1-2H3,(H2,11,13)
InChIKeyXYDZUBFTZIGCDJ-UHFFFAOYSA-N
XLogP0.61
TPSA95.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-propan-2-yl-1,3-oxazol-4-yl)propan-1-one
CID 133054612
2-methyl-1,3-oxazole-4-carboxamide
CID 10796748
methyl 2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carboxylate
CID 85299406
2-(1-amino-2-methylbutyl)-N-(2-methylsulfanylethyl)-1,3-oxazole-4-carboxamide
CID 3847133
2-(1-amino-2-methylbutyl)-N-nonyl-1,3-oxazole-4-carboxamide
CID 3866894
2-(1-amino-2-methylbutyl)-N-pentadecyl-1,3-oxazole-4-carboxamide
CID 3824160
2-amino-1,3-oxazole-4-carboxamide
CID 21094800
[2-(1-aminopropyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 3859728
2-[(2S)-pentan-2-yl]-1,3-oxazole-4-carboxylic acid
CID 161037098
N,N-diethyl-2-propan-2-yl-1,3-oxazole-4-carboxamide
CID 86165247
2-(1-amino-2-methylpropyl)-N-hexadecyl-1,3-oxazole-4-carboxamide
CID 3839797
2-(1-amino-3-methylbutyl)-N-butyl-1,3-oxazole-4-carboxamide
CID 3865890

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopentan-3-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(2-aminopentan-3-yl)-1,3-oxazole-4-carboxamide (CID 77463883) is 2-(2-aminopentan-3-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminopentan-3-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(2-aminopentan-3-yl)-1,3-oxazole-4-carboxamide is CCC(c1nc(C(N)=O)co1)C(C)N.
What is the InChIKey of 2-(2-aminopentan-3-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is XYDZUBFTZIGCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-6(5(2)10)9-12-7(4-14-9)8(11)13/h4-6H,3,10H2,1-2H3,(H2,11,13).
What are the key properties of 2-(2-aminopentan-3-yl)-1,3-oxazole-4-carboxamide?
2-(2-aminopentan-3-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 197.24 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopentan-3-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 77463883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).