N-[(2S)-1-aminopropan-2-yl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide

C9H15N3O3 — CID 120505183

IUPACN-[(2S)-1-aminopropan-2-yl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)N[C@@H](C)CN)no1
InChIInChI=1S/C9H15N3O3/c1-6(4-10)11-9(13)8-3-7(5-14-2)15-12-8/h3,6H,4-5,10H2,1-2H3,(H,11,13)/t6-/m0/s1
InChIKeyFZJABZWTGBWMQH-LURJTMIESA-N
MW213.24 g/mol
LogP-0.10
Rot. Bonds5

About N-[(2S)-1-aminopropan-2-yl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide

N-[(2S)-1-aminopropan-2-yl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide (PubChem CID 120505183) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
PubChem CID120505183
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)N[C@@H](C)CN)no1
InChIInChI=1S/C9H15N3O3/c1-6(4-10)11-9(13)8-3-7(5-14-2)15-12-8/h3,6H,4-5,10H2,1-2H3,(H,11,13)/t6-/m0/s1
InChIKeyFZJABZWTGBWMQH-LURJTMIESA-N
XLogP-0.10
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid
CID 66158499
methyl 2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]propanoate
CID 66156389
4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid
CID 66157136
5-(methoxymethyl)-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide
CID 66157357
N-[(2S)-3-amino-2-methylpropyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 124685846
N-(1-aminohexan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 80698227
N-[(2R)-1-aminopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 104872804
N-(1-amino-1-hydroxyiminopropan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 77113433
5-ethyl-N-(1-methoxypropan-2-yl)-1,2-oxazole-3-carboxamide
CID 46246328
N-(1-hydroxy-3-methoxypropan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 114079017
4-amino-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-4-oxobutanoic acid
CID 66156724
N-(1-amino-2,3-dimethylbutan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 81486962

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide (CID 120505183) is N-[(2S)-1-aminopropan-2-yl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide is COCc1cc(C(=O)N[C@@H](C)CN)no1.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is FZJABZWTGBWMQH-LURJTMIESA-N. The full InChI is InChI=1S/C9H15N3O3/c1-6(4-10)11-9(13)8-3-7(5-14-2)15-12-8/h3,6H,4-5,10H2,1-2H3,(H,11,13)/t6-/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
N-[(2S)-1-aminopropan-2-yl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 213.24 g/mol, XLogP of -0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 120505183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).