N-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(cyclobutanecarbonylamino)azetidine-1-carboxamide

C17H27N5O3 — CID 124620918

IUPACN-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(cyclobutanecarbonylamino)azetidine-1-carboxamide
SMILESC[C@H](NC(=O)N1CC(NC(=O)C2CCC2)C1)c1nc(C(C)(C)C)no1
InChIInChI=1S/C17H27N5O3/c1-10(14-20-15(21-25-14)17(2,3)4)18-16(24)22-8-12(9-22)19-13(23)11-6-5-7-11/h10-12H,5-9H2,1-4H3,(H,18,24)(H,19,23)/t10-/m0/s1
InChIKeyUWCJYFBVTIQPQK-JTQLQIEISA-N
MW349.44 g/mol
LogP1.74
Rot. Bonds4

About N-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(cyclobutanecarbonylamino)azetidine-1-carboxamide

N-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(cyclobutanecarbonylamino)azetidine-1-carboxamide (PubChem CID 124620918) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(cyclobutanecarbonylamino)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(cyclobutanecarbonylamino)azetidine-1-carboxamide
PubChem CID124620918
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC NameN-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(cyclobutanecarbonylamino)azetidine-1-carboxamide
SMILESC[C@H](NC(=O)N1CC(NC(=O)C2CCC2)C1)c1nc(C(C)(C)C)no1
InChIInChI=1S/C17H27N5O3/c1-10(14-20-15(21-25-14)17(2,3)4)18-16(24)22-8-12(9-22)19-13(23)11-6-5-7-11/h10-12H,5-9H2,1-4H3,(H,18,24)(H,19,23)/t10-/m0/s1
InChIKeyUWCJYFBVTIQPQK-JTQLQIEISA-N
XLogP1.74
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4S)-1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122004427
3-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]cyclopentane-1-carboxamide
CID 119817308
[(3R,4S)-4-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-methylpiperidin-1-yl]-cyclopropylmethanone
CID 96513329
cis-(1R,2S)-2-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125119041
cis-(1S,2R)-2-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125119043
[(3R,4R)-4-[[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone
CID 98799431
(2R)-2-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide;hydrochloride
CID 119342865
1-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-N-methylpiperidine-4-carboxamide
CID 37258781
3-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119817309
1-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(3S)-4-methylpent-1-yn-3-yl]urea
CID 124849754
N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-2-cyclobutyloxypyridine-4-carboxamide
CID 126768794
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide;hydrochloride
CID 119817323

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(cyclobutanecarbonylamino)azetidine-1-carboxamide?
The IUPAC name of N-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(cyclobutanecarbonylamino)azetidine-1-carboxamide (CID 124620918) is N-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(cyclobutanecarbonylamino)azetidine-1-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(cyclobutanecarbonylamino)azetidine-1-carboxamide?
The canonical SMILES for N-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(cyclobutanecarbonylamino)azetidine-1-carboxamide is C[C@H](NC(=O)N1CC(NC(=O)C2CCC2)C1)c1nc(C(C)(C)C)no1.
What is the InChIKey of N-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(cyclobutanecarbonylamino)azetidine-1-carboxamide?
The InChIKey is UWCJYFBVTIQPQK-JTQLQIEISA-N. The full InChI is InChI=1S/C17H27N5O3/c1-10(14-20-15(21-25-14)17(2,3)4)18-16(24)22-8-12(9-22)19-13(23)11-6-5-7-11/h10-12H,5-9H2,1-4H3,(H,18,24)(H,19,23)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(cyclobutanecarbonylamino)azetidine-1-carboxamide?
N-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(cyclobutanecarbonylamino)azetidine-1-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(cyclobutanecarbonylamino)azetidine-1-carboxamide is sourced from PubChem (CID 124620918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).