N-(1-aminohexan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide

C12H21N3O3 — CID 80698227

IUPACN-(1-aminohexan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
SMILESCCCCC(CN)NC(=O)c1cc(COC)on1
InChIInChI=1S/C12H21N3O3/c1-3-4-5-9(7-13)14-12(16)11-6-10(8-17-2)18-15-11/h6,9H,3-5,7-8,13H2,1-2H3,(H,14,16)
InChIKeyQDAMWQKATUSVKJ-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.07
Rot. Bonds8

About N-(1-aminohexan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide

N-(1-aminohexan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide (PubChem CID 80698227) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
PubChem CID80698227
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC NameN-(1-aminohexan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
SMILESCCCCC(CN)NC(=O)c1cc(COC)on1
InChIInChI=1S/C12H21N3O3/c1-3-4-5-9(7-13)14-12(16)11-6-10(8-17-2)18-15-11/h6,9H,3-5,7-8,13H2,1-2H3,(H,14,16)
InChIKeyQDAMWQKATUSVKJ-UHFFFAOYSA-N
XLogP1.07
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 120505183
N-(1-hydroxy-3-methoxypropan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 114079017
methyl 2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]propanoate
CID 66156389
5-(methoxymethyl)-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide
CID 66157357
4-methoxy-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid
CID 66157132
N-[(2S)-3-amino-2-methylpropyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 124685846
4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid
CID 66157136
3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid
CID 66158499
N-(1-amino-1-hydroxyiminopropan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 77113433
4-amino-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-4-oxobutanoic acid
CID 66156724
2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]pentanedioic acid
CID 66156134
3-[[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]methyl]pentanoic acid
CID 81066277

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1-aminohexan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide (CID 80698227) is N-(1-aminohexan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide is CCCCC(CN)NC(=O)c1cc(COC)on1.
What is the InChIKey of N-(1-aminohexan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is QDAMWQKATUSVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-3-4-5-9(7-13)14-12(16)11-6-10(8-17-2)18-15-11/h6,9H,3-5,7-8,13H2,1-2H3,(H,14,16).
What are the key properties of N-(1-aminohexan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
N-(1-aminohexan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 1.07, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 80698227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).