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

C9H13F2N3O3 — CID 114383438

IUPACN-(3-amino-2,2-difluoropropyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)NCC(F)(F)CN)no1
InChIInChI=1S/C9H13F2N3O3/c1-16-3-6-2-7(14-17-6)8(15)13-5-9(10,11)4-12/h2H,3-5,12H2,1H3,(H,13,15)
InChIKeyKPTTVVIMNJUGCH-UHFFFAOYSA-N
MW249.22 g/mol
LogP0.14
Rot. Bonds6

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

N-(3-amino-2,2-difluoropropyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide (PubChem CID 114383438) has the molecular formula C9H13F2N3O3 and a molecular weight of 249.22 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
PubChem CID114383438
Molecular FormulaC9H13F2N3O3
Molecular Weight249.22 g/mol
Exact Mass249.09
IUPAC NameN-(3-amino-2,2-difluoropropyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)NCC(F)(F)CN)no1
InChIInChI=1S/C9H13F2N3O3/c1-16-3-6-2-7(14-17-6)8(15)13-5-9(10,11)4-12/h2H,3-5,12H2,1H3,(H,13,15)
InChIKeyKPTTVVIMNJUGCH-UHFFFAOYSA-N
XLogP0.14
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide (CID 114383438) is N-(3-amino-2,2-difluoropropyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide is COCc1cc(C(=O)NCC(F)(F)CN)no1.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is KPTTVVIMNJUGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3O3/c1-16-3-6-2-7(14-17-6)8(15)13-5-9(10,11)4-12/h2H,3-5,12H2,1H3,(H,13,15).
What are the key properties of N-(3-amino-2,2-difluoropropyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
N-(3-amino-2,2-difluoropropyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 249.22 g/mol, XLogP of 0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 114383438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).