N-[(2S)-3-amino-2-methylpropyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide

C10H17N3O3 — CID 124685846

IUPACN-[(2S)-3-amino-2-methylpropyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)NC[C@@H](C)CN)no1
InChIInChI=1S/C10H17N3O3/c1-7(4-11)5-12-10(14)9-3-8(6-15-2)16-13-9/h3,7H,4-6,11H2,1-2H3,(H,12,14)/t7-/m0/s1
InChIKeyHQHVMRMKIAAREP-ZETCQYMHSA-N
MW227.26 g/mol
LogP0.15
Rot. Bonds6

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

N-[(2S)-3-amino-2-methylpropyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide (PubChem CID 124685846) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is N-[(2S)-3-amino-2-methylpropyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-amino-2-methylpropyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
PubChem CID124685846
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC NameN-[(2S)-3-amino-2-methylpropyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)NC[C@@H](C)CN)no1
InChIInChI=1S/C10H17N3O3/c1-7(4-11)5-12-10(14)9-3-8(6-15-2)16-13-9/h3,7H,4-6,11H2,1-2H3,(H,12,14)/t7-/m0/s1
InChIKeyHQHVMRMKIAAREP-ZETCQYMHSA-N
XLogP0.15
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.15
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
methyl 2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]propanoate
CID 66156389
3-[[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]methyl]pentanoic acid
CID 81066277
N-(1-amino-2,3-dimethylbutan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 81486962
5-(methoxymethyl)-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide
CID 66157357
3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid
CID 66158499
(2S)-2-hydroxy-4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid
CID 107834693
N-(1-aminohexan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 80698227
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 111566193
N-(2-ethyl-2-hydroxybutyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66156577
N-(1-amino-1-hydroxyiminopropan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 77113433
methyl 5-(methoxymethyl)-1,2-oxazole-3-carboxylate
CID 13371025

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-amino-2-methylpropyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(2S)-3-amino-2-methylpropyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide (CID 124685846) is N-[(2S)-3-amino-2-methylpropyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-3-amino-2-methylpropyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(2S)-3-amino-2-methylpropyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide is COCc1cc(C(=O)NC[C@@H](C)CN)no1.
What is the InChIKey of N-[(2S)-3-amino-2-methylpropyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is HQHVMRMKIAAREP-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-7(4-11)5-12-10(14)9-3-8(6-15-2)16-13-9/h3,7H,4-6,11H2,1-2H3,(H,12,14)/t7-/m0/s1.
What are the key properties of N-[(2S)-3-amino-2-methylpropyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
N-[(2S)-3-amino-2-methylpropyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 227.26 g/mol, XLogP of 0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-amino-2-methylpropyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 124685846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).