N-[3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-methylamino]cyclobutyl]-3,3-difluorocyclobutane-1-carboxamide

C19H26F2N4O3 — CID 167962835

IUPACN-[3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-methylamino]cyclobutyl]-3,3-difluorocyclobutane-1-carboxamide
SMILESCN(C(=O)CCCc1nc(C2CC2)no1)C1CC(NC(=O)C2CC(F)(F)C2)C1
InChIInChI=1S/C19H26F2N4O3/c1-25(14-7-13(8-14)22-18(27)12-9-19(20,21)10-12)16(26)4-2-3-15-23-17(24-28-15)11-5-6-11/h11-14H,2-10H2,1H3,(H,22,27)
InChIKeyFNESEHAGERNMPO-UHFFFAOYSA-N
MW396.44 g/mol
LogP2.42
Rot. Bonds8

About N-[3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-methylamino]cyclobutyl]-3,3-difluorocyclobutane-1-carboxamide

N-[3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-methylamino]cyclobutyl]-3,3-difluorocyclobutane-1-carboxamide (PubChem CID 167962835) has the molecular formula C19H26F2N4O3 and a molecular weight of 396.44 g/mol. Its IUPAC name is N-[3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-methylamino]cyclobutyl]-3,3-difluorocyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-methylamino]cyclobutyl]-3,3-difluorocyclobutane-1-carboxamide
PubChem CID167962835
Molecular FormulaC19H26F2N4O3
Molecular Weight396.44 g/mol
Exact Mass396.20
IUPAC NameN-[3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-methylamino]cyclobutyl]-3,3-difluorocyclobutane-1-carboxamide
SMILESCN(C(=O)CCCc1nc(C2CC2)no1)C1CC(NC(=O)C2CC(F)(F)C2)C1
InChIInChI=1S/C19H26F2N4O3/c1-25(14-7-13(8-14)22-18(27)12-9-19(20,21)10-12)16(26)4-2-3-15-23-17(24-28-15)11-5-6-11/h11-14H,2-10H2,1H3,(H,22,27)
InChIKeyFNESEHAGERNMPO-UHFFFAOYSA-N
XLogP2.42
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-methylamino]cyclobutyl]-3,3-difluorocyclobutane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-methylamino]propanoic acid
CID 119208889
2-[cyclopropyl-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]propanoic acid
CID 119202492
2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-(2-methylpropyl)amino]acetic acid
CID 119192796
3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-(2-methylpropyl)amino]propanoic acid
CID 119190122
N-(3-amino-4-methylpentyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylbutanamide;hydrochloride
CID 119658824
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-one
CID 63346459
4-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 65390677
4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butanoic acid
CID 65390511
N-(1-amino-2-methylpropan-2-yl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119522706
3-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 114215234
2-[4-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696739
2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-methylbutanoic acid
CID 119199076

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-methylamino]cyclobutyl]-3,3-difluorocyclobutane-1-carboxamide?
The IUPAC name of N-[3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-methylamino]cyclobutyl]-3,3-difluorocyclobutane-1-carboxamide (CID 167962835) is N-[3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-methylamino]cyclobutyl]-3,3-difluorocyclobutane-1-carboxamide.
What is the SMILES notation for N-[3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-methylamino]cyclobutyl]-3,3-difluorocyclobutane-1-carboxamide?
The canonical SMILES for N-[3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-methylamino]cyclobutyl]-3,3-difluorocyclobutane-1-carboxamide is CN(C(=O)CCCc1nc(C2CC2)no1)C1CC(NC(=O)C2CC(F)(F)C2)C1.
What is the InChIKey of N-[3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-methylamino]cyclobutyl]-3,3-difluorocyclobutane-1-carboxamide?
The InChIKey is FNESEHAGERNMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2N4O3/c1-25(14-7-13(8-14)22-18(27)12-9-19(20,21)10-12)16(26)4-2-3-15-23-17(24-28-15)11-5-6-11/h11-14H,2-10H2,1H3,(H,22,27).
What are the key properties of N-[3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-methylamino]cyclobutyl]-3,3-difluorocyclobutane-1-carboxamide?
N-[3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-methylamino]cyclobutyl]-3,3-difluorocyclobutane-1-carboxamide has a molecular weight of 396.44 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-methylamino]cyclobutyl]-3,3-difluorocyclobutane-1-carboxamide is sourced from PubChem (CID 167962835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).