N-(2-amino-2-methoxypropyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide

C10H17N3O4 — CID 135132598

IUPACN-(2-amino-2-methoxypropyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)NCC(C)(N)OC)no1
InChIInChI=1S/C10H17N3O4/c1-10(11,16-3)6-12-9(14)8-4-7(5-15-2)17-13-8/h4H,5-6,11H2,1-3H3,(H,12,14)
InChIKeyLUKKMKALPIKCQY-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.13
Rot. Bonds6

About N-(2-amino-2-methoxypropyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide

N-(2-amino-2-methoxypropyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide (PubChem CID 135132598) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is N-(2-amino-2-methoxypropyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-methoxypropyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
PubChem CID135132598
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC NameN-(2-amino-2-methoxypropyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)NCC(C)(N)OC)no1
InChIInChI=1S/C10H17N3O4/c1-10(11,16-3)6-12-9(14)8-4-7(5-15-2)17-13-8/h4H,5-6,11H2,1-3H3,(H,12,14)
InChIKeyLUKKMKALPIKCQY-UHFFFAOYSA-N
XLogP-0.13
TPSA99.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methoxypropyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-amino-2-methoxypropyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide (CID 135132598) is N-(2-amino-2-methoxypropyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-methoxypropyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-amino-2-methoxypropyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide is COCc1cc(C(=O)NCC(C)(N)OC)no1.
What is the InChIKey of N-(2-amino-2-methoxypropyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is LUKKMKALPIKCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-10(11,16-3)6-12-9(14)8-4-7(5-15-2)17-13-8/h4H,5-6,11H2,1-3H3,(H,12,14).
What are the key properties of N-(2-amino-2-methoxypropyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
N-(2-amino-2-methoxypropyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 243.26 g/mol, XLogP of -0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methoxypropyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 135132598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).