N-(cyclopropylmethyl)-2-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]amino]acetamide

C9H12F2N4O2 — CID 128900892

IUPACN-(cyclopropylmethyl)-2-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]amino]acetamide
SMILESO=C(CNc1nnc(C(F)F)o1)NCC1CC1
InChIInChI=1S/C9H12F2N4O2/c10-7(11)8-14-15-9(17-8)13-4-6(16)12-3-5-1-2-5/h5,7H,1-4H2,(H,12,16)(H,13,15)
InChIKeyDIUGCYZZMIPBQL-UHFFFAOYSA-N
MW246.22 g/mol
LogP0.95
Rot. Bonds6

About N-(cyclopropylmethyl)-2-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]amino]acetamide

N-(cyclopropylmethyl)-2-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]amino]acetamide (PubChem CID 128900892) has the molecular formula C9H12F2N4O2 and a molecular weight of 246.22 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]amino]acetamide
PubChem CID128900892
Molecular FormulaC9H12F2N4O2
Molecular Weight246.22 g/mol
Exact Mass246.09
IUPAC NameN-(cyclopropylmethyl)-2-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]amino]acetamide
SMILESO=C(CNc1nnc(C(F)F)o1)NCC1CC1
InChIInChI=1S/C9H12F2N4O2/c10-7(11)8-14-15-9(17-8)13-4-6(16)12-3-5-1-2-5/h5,7H,1-4H2,(H,12,16)(H,13,15)
InChIKeyDIUGCYZZMIPBQL-UHFFFAOYSA-N
XLogP0.95
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]amino]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]amino]acetamide (CID 128900892) is N-(cyclopropylmethyl)-2-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]amino]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]amino]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]amino]acetamide is O=C(CNc1nnc(C(F)F)o1)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]amino]acetamide?
The InChIKey is DIUGCYZZMIPBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N4O2/c10-7(11)8-14-15-9(17-8)13-4-6(16)12-3-5-1-2-5/h5,7H,1-4H2,(H,12,16)(H,13,15).
What are the key properties of N-(cyclopropylmethyl)-2-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]amino]acetamide?
N-(cyclopropylmethyl)-2-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]amino]acetamide has a molecular weight of 246.22 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]amino]acetamide is sourced from PubChem (CID 128900892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).