N-(2-chloroethyl)-N-(2,2-difluoroethyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide

C10H13ClF2N2O3 — CID 107490905

IUPACN-(2-chloroethyl)-N-(2,2-difluoroethyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)N(CCCl)CC(F)F)no1
InChIInChI=1S/C10H13ClF2N2O3/c1-17-6-7-4-8(14-18-7)10(16)15(3-2-11)5-9(12)13/h4,9H,2-3,5-6H2,1H3
InChIKeyLQZRMTORVRSEAX-UHFFFAOYSA-N
MW282.67 g/mol
LogP1.77
Rot. Bonds7

About N-(2-chloroethyl)-N-(2,2-difluoroethyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide

N-(2-chloroethyl)-N-(2,2-difluoroethyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide (PubChem CID 107490905) has the molecular formula C10H13ClF2N2O3 and a molecular weight of 282.67 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(2,2-difluoroethyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(2,2-difluoroethyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
PubChem CID107490905
Molecular FormulaC10H13ClF2N2O3
Molecular Weight282.67 g/mol
Exact Mass282.06
IUPAC NameN-(2-chloroethyl)-N-(2,2-difluoroethyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)N(CCCl)CC(F)F)no1
InChIInChI=1S/C10H13ClF2N2O3/c1-17-6-7-4-8(14-18-7)10(16)15(3-2-11)5-9(12)13/h4,9H,2-3,5-6H2,1H3
InChIKeyLQZRMTORVRSEAX-UHFFFAOYSA-N
XLogP1.77
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.67
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-butyl-N-(2-hydroxyethyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66157570
N-(2-bromoethyl)-5-(methoxymethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 80666209
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2,5-dimethylfuran-3-carboxamide
CID 107491208
N-(2-amino-2-hydroxyiminoethyl)-5-(methoxymethyl)-N-propyl-1,2-oxazole-3-carboxamide
CID 77113397
methyl 5-(methoxymethyl)-1,2-oxazole-3-carboxylate
CID 13371025
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-methylpyrazole-3-carboxamide
CID 107491265
N-(2-chloroethyl)-N-(2,2-difluoroethyl)quinoline-2-carboxamide
CID 107491243
5-(methoxymethyl)-N-propyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 106610655
5-(chloromethyl)-N,N-dimethyl-1,2-oxazole-3-carboxamide
CID 118543057
3-[cyclopropyl-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]propanoic acid
CID 66156133
N-[[1-(chloromethyl)cyclopentyl]methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 113294761
N-(2,2-difluoroethyl)-2,4-dihydroxy-N-(2-methoxyethyl)benzamide
CID 122149694

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide (CID 107490905) is N-(2-chloroethyl)-N-(2,2-difluoroethyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-N-(2,2-difluoroethyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-N-(2,2-difluoroethyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide is COCc1cc(C(=O)N(CCCl)CC(F)F)no1.
What is the InChIKey of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is LQZRMTORVRSEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF2N2O3/c1-17-6-7-4-8(14-18-7)10(16)15(3-2-11)5-9(12)13/h4,9H,2-3,5-6H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 282.67 g/mol, XLogP of 1.77, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-(2,2-difluoroethyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 107490905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).