N-[3-(carbamoylamino)-4-fluorophenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide

C14H15FN6O3 — CID 167814809

IUPACN-[3-(carbamoylamino)-4-fluorophenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
SMILESCc1noc(C2CN(C(=O)Nc3ccc(F)c(NC(N)=O)c3)C2)n1
InChIInChI=1S/C14H15FN6O3/c1-7-17-12(24-20-7)8-5-21(6-8)14(23)18-9-2-3-10(15)11(4-9)19-13(16)22/h2-4,8H,5-6H2,1H3,(H,18,23)(H3,16,19,22)
InChIKeySUDHIEFAJQEXKQ-UHFFFAOYSA-N
MW334.31 g/mol
LogP1.64
Rot. Bonds3

About N-[3-(carbamoylamino)-4-fluorophenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide

N-[3-(carbamoylamino)-4-fluorophenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide (PubChem CID 167814809) has the molecular formula C14H15FN6O3 and a molecular weight of 334.31 g/mol. Its IUPAC name is N-[3-(carbamoylamino)-4-fluorophenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(carbamoylamino)-4-fluorophenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
PubChem CID167814809
Molecular FormulaC14H15FN6O3
Molecular Weight334.31 g/mol
Exact Mass334.12
IUPAC NameN-[3-(carbamoylamino)-4-fluorophenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
SMILESCc1noc(C2CN(C(=O)Nc3ccc(F)c(NC(N)=O)c3)C2)n1
InChIInChI=1S/C14H15FN6O3/c1-7-17-12(24-20-7)8-5-21(6-8)14(23)18-9-2-3-10(15)11(4-9)19-13(16)22/h2-4,8H,5-6H2,1H3,(H,18,23)(H3,16,19,22)
InChIKeySUDHIEFAJQEXKQ-UHFFFAOYSA-N
XLogP1.64
TPSA126.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.31
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluorophenyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
CID 121098819
N-[3-(carbamoylamino)-4-fluorophenyl]thiomorpholine-4-carboxamide
CID 131961768
(1R,2R,6S,7S)-N-(3-acetamido-4-fluorophenyl)-4-azatricyclo[5.2.1.02,6]decane-4-carboxamide
CID 72855276
N-(2-methyl-1,3-benzoxazol-5-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 71915800
3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)azetidine-1-carboxamide
CID 121096864
3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(4-chlorophenyl)azetidine-1-carboxamide
CID 121093199
N-(4-chlorophenyl)-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoacetamide
CID 60573731
(2S,6S)-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 52501690
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 47388339
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)azetidine-1-carboxamide
CID 90509184
(3S)-N-(3-chloro-4-fluorophenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7356807
(3R)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3,4-dimethylphenyl)piperidine-1-carboxamide
CID 7283792

Frequently Asked Questions

What is the IUPAC name of N-[3-(carbamoylamino)-4-fluorophenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide?
The IUPAC name of N-[3-(carbamoylamino)-4-fluorophenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide (CID 167814809) is N-[3-(carbamoylamino)-4-fluorophenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide.
What is the SMILES notation for N-[3-(carbamoylamino)-4-fluorophenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide?
The canonical SMILES for N-[3-(carbamoylamino)-4-fluorophenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide is Cc1noc(C2CN(C(=O)Nc3ccc(F)c(NC(N)=O)c3)C2)n1.
What is the InChIKey of N-[3-(carbamoylamino)-4-fluorophenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide?
The InChIKey is SUDHIEFAJQEXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN6O3/c1-7-17-12(24-20-7)8-5-21(6-8)14(23)18-9-2-3-10(15)11(4-9)19-13(16)22/h2-4,8H,5-6H2,1H3,(H,18,23)(H3,16,19,22).
What are the key properties of N-[3-(carbamoylamino)-4-fluorophenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide?
N-[3-(carbamoylamino)-4-fluorophenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide has a molecular weight of 334.31 g/mol, XLogP of 1.64, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(carbamoylamino)-4-fluorophenyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide is sourced from PubChem (CID 167814809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).