N-[(2R)-1-aminopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

C8H13N3O2 — CID 104872804

IUPACN-[(2R)-1-aminopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@H](C)CN)no1
InChIInChI=1S/C8H13N3O2/c1-5(4-9)10-8(12)7-3-6(2)13-11-7/h3,5H,4,9H2,1-2H3,(H,10,12)/t5-/m1/s1
InChIKeyHSJHCVZERHFZND-RXMQYKEDSA-N
MW183.21 g/mol
LogP0.06
Rot. Bonds3

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

N-[(2R)-1-aminopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 104872804) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is N-[(2R)-1-aminopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-aminopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID104872804
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC NameN-[(2R)-1-aminopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@H](C)CN)no1
InChIInChI=1S/C8H13N3O2/c1-5(4-9)10-8(12)7-3-6(2)13-11-7/h3,5H,4,9H2,1-2H3,(H,10,12)/t5-/m1/s1
InChIKeyHSJHCVZERHFZND-RXMQYKEDSA-N
XLogP0.06
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 63888339
5-methyl-N-(6-methylheptan-2-yl)-1,2-oxazole-3-carboxamide
CID 78790456
N-[(2S)-1-aminopropan-2-yl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 120505183
N-[(2S)-1-amino-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 130166246
ethyl 2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate
CID 14676597
5-methyl-N-(1-phenylpropan-2-yl)-1,2-oxazole-3-carboxamide
CID 176958817
5-methyl-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide
CID 66157356
(2S)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanedioic acid
CID 112732912
N-(1,1-dimethoxypropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 66157155
4,4,4-trifluoro-3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 138057763
(2S)-5-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hexanoic acid
CID 162739246
tert-butyl (2R)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate
CID 81004390

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-aminopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(2R)-1-aminopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 104872804) is N-[(2R)-1-aminopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-aminopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(2R)-1-aminopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)N[C@H](C)CN)no1.
What is the InChIKey of N-[(2R)-1-aminopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is HSJHCVZERHFZND-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-5(4-9)10-8(12)7-3-6(2)13-11-7/h3,5H,4,9H2,1-2H3,(H,10,12)/t5-/m1/s1.
What are the key properties of N-[(2R)-1-aminopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[(2R)-1-aminopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 183.21 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-aminopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 104872804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).