N-(5-tert-butyl-1,2-oxazol-3-yl)-1-propylsulfinylazetidine-2-carboxamide

C14H23N3O3S — CID 135291988

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-1-propylsulfinylazetidine-2-carboxamide
SMILESCCCS(=O)N1CCC1C(=O)Nc1cc(C(C)(C)C)on1
InChIInChI=1S/C14H23N3O3S/c1-5-8-21(19)17-7-6-10(17)13(18)15-12-9-11(20-16-12)14(2,3)4/h9-10H,5-8H2,1-4H3,(H,15,16,18)
InChIKeyDGFZDDWMFZRBNU-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.06
Rot. Bonds5

About N-(5-tert-butyl-1,2-oxazol-3-yl)-1-propylsulfinylazetidine-2-carboxamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-1-propylsulfinylazetidine-2-carboxamide (PubChem CID 135291988) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-1-propylsulfinylazetidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-1-propylsulfinylazetidine-2-carboxamide
PubChem CID135291988
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-1-propylsulfinylazetidine-2-carboxamide
SMILESCCCS(=O)N1CCC1C(=O)Nc1cc(C(C)(C)C)on1
InChIInChI=1S/C14H23N3O3S/c1-5-8-21(19)17-7-6-10(17)13(18)15-12-9-11(20-16-12)14(2,3)4/h9-10H,5-8H2,1-4H3,(H,15,16,18)
InChIKeyDGFZDDWMFZRBNU-UHFFFAOYSA-N
XLogP2.06
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-cyclopentylpiperidine-2-carboxamide
CID 46873516
N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(cyclohexanecarbonyl)piperidine-2-carboxamide
CID 70865040
tert-butyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]piperidine-1-carboxylate
CID 68786586
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(5-chloro-2-pyridinyl)azetidine-2-carboxamide
CID 67953708
N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(4-methoxycyclohexyl)methyl]piperidine-2-carboxamide
CID 90773012
1-(4-acetylpiperazine-1-carbonyl)-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide
CID 75239154
N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(morpholine-4-carbonyl)piperidine-2-carboxamide
CID 70865049
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 162660579
N-(5-tert-butyl-1,2-oxazol-3-yl)-1-butylsulfonylpiperidine-3-carboxamide
CID 6473130
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(piperazine-1-carbonyl)piperidine-2-carboxamide
CID 70864988
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(3,5-difluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 67953391
(1R,2S,3R,4R)-3-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 124763908

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-1-propylsulfinylazetidine-2-carboxamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-1-propylsulfinylazetidine-2-carboxamide (CID 135291988) is N-(5-tert-butyl-1,2-oxazol-3-yl)-1-propylsulfinylazetidine-2-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-1-propylsulfinylazetidine-2-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-1-propylsulfinylazetidine-2-carboxamide is CCCS(=O)N1CCC1C(=O)Nc1cc(C(C)(C)C)on1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-1-propylsulfinylazetidine-2-carboxamide?
The InChIKey is DGFZDDWMFZRBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-5-8-21(19)17-7-6-10(17)13(18)15-12-9-11(20-16-12)14(2,3)4/h9-10H,5-8H2,1-4H3,(H,15,16,18).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-1-propylsulfinylazetidine-2-carboxamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-1-propylsulfinylazetidine-2-carboxamide has a molecular weight of 313.42 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-1-propylsulfinylazetidine-2-carboxamide is sourced from PubChem (CID 135291988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).