2-[(1R)-1,5-diaminopentyl]-1,3-oxazole-4-carboxylic acid

C9H15N3O3 — CID 101420648

IUPAC2-[(1R)-1,5-diaminopentyl]-1,3-oxazole-4-carboxylic acid
SMILESNCCCC[C@@H](N)c1nc(C(=O)O)co1
InChIInChI=1S/C9H15N3O3/c10-4-2-1-3-6(11)8-12-7(5-15-8)9(13)14/h5-6H,1-4,10-11H2,(H,13,14)/t6-/m1/s1
InChIKeyVWDOWLMPDBAOOC-ZCFIWIBFSA-N
MW213.24 g/mol
LogP0.50
Rot. Bonds6

About 2-[(1R)-1,5-diaminopentyl]-1,3-oxazole-4-carboxylic acid

2-[(1R)-1,5-diaminopentyl]-1,3-oxazole-4-carboxylic acid (PubChem CID 101420648) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-[(1R)-1,5-diaminopentyl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(1R)-1,5-diaminopentyl]-1,3-oxazole-4-carboxylic acid
PubChem CID101420648
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name2-[(1R)-1,5-diaminopentyl]-1,3-oxazole-4-carboxylic acid
SMILESNCCCC[C@@H](N)c1nc(C(=O)O)co1
InChIInChI=1S/C9H15N3O3/c10-4-2-1-3-6(11)8-12-7(5-15-8)9(13)14/h5-6H,1-4,10-11H2,(H,13,14)/t6-/m1/s1
InChIKeyVWDOWLMPDBAOOC-ZCFIWIBFSA-N
XLogP0.50
TPSA115.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(2S)-hexan-2-yl]-1,3-oxazole-4-carboxylic acid
CID 162015662
2-(1-aminopentyl)-N-pentyl-1,3-oxazole-4-carboxamide
CID 5160787
2-[(2S)-pentan-2-yl]-1,3-oxazole-4-carboxylic acid
CID 161037098
(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)pentane-1,5-diamine
CID 162529572
2-(1-aminopentyl)-N-(3-phenylpropyl)-1,3-oxazole-4-carboxamide
CID 3665798
2-(1-aminopentyl)-N-[(4-aminophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3796337
2-(1-aminopentyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 3859480
2-(1-aminopentyl)-N-(3-ethylphenyl)-1,3-oxazole-4-carboxamide
CID 3861776
2-(1-aminopentyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-oxazole-4-carboxamide
CID 3692940
2-(1-aminopentyl)-N-(3-morpholin-4-ylpropyl)-1,3-oxazole-4-carboxamide
CID 5160527
2-(1-amino-3-methylsulfanylpropyl)-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3825691
2-(1-aminobutyl)-N-cyclopropyl-1,3-oxazole-4-carboxamide
CID 5156440

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1,5-diaminopentyl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[(1R)-1,5-diaminopentyl]-1,3-oxazole-4-carboxylic acid (CID 101420648) is 2-[(1R)-1,5-diaminopentyl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[(1R)-1,5-diaminopentyl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[(1R)-1,5-diaminopentyl]-1,3-oxazole-4-carboxylic acid is NCCCC[C@@H](N)c1nc(C(=O)O)co1.
What is the InChIKey of 2-[(1R)-1,5-diaminopentyl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is VWDOWLMPDBAOOC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H15N3O3/c10-4-2-1-3-6(11)8-12-7(5-15-8)9(13)14/h5-6H,1-4,10-11H2,(H,13,14)/t6-/m1/s1.
What are the key properties of 2-[(1R)-1,5-diaminopentyl]-1,3-oxazole-4-carboxylic acid?
2-[(1R)-1,5-diaminopentyl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 213.24 g/mol, XLogP of 0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1,5-diaminopentyl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 101420648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).