tert-butyl N-[4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]carbamate

C14H17N3O3S — CID 84818701

IUPACtert-butyl N-[4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]carbamate
SMILESCSc1nnc(-c2ccc(NC(=O)OC(C)(C)C)cc2)o1
InChIInChI=1S/C14H17N3O3S/c1-14(2,3)20-12(18)15-10-7-5-9(6-8-10)11-16-17-13(19-11)21-4/h5-8H,1-4H3,(H,15,18)
InChIKeyBLSKFHGFCVZQGL-UHFFFAOYSA-N
MW307.38 g/mol
LogP3.81
Rot. Bonds3

About tert-butyl N-[4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]carbamate

tert-butyl N-[4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]carbamate (PubChem CID 84818701) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is tert-butyl N-[4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]carbamate
PubChem CID84818701
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Nametert-butyl N-[4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]carbamate
SMILESCSc1nnc(-c2ccc(NC(=O)OC(C)(C)C)cc2)o1
InChIInChI=1S/C14H17N3O3S/c1-14(2,3)20-12(18)15-10-7-5-9(6-8-10)11-16-17-13(19-11)21-4/h5-8H,1-4H3,(H,15,18)
InChIKeyBLSKFHGFCVZQGL-UHFFFAOYSA-N
XLogP3.81
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[2-[2-[2-[2-[[4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)benzoyl]amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 178135860
tert-butyl 3-[2-[2-[2-[2-[4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 177191463
tert-butyl N-[4-(4-hydroxyphenyl)phenyl]carbamate
CID 53218743
ethane;4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)benzamide
CID 177180387
tert-butyl N-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]carbamate
CID 137028383
tert-butyl N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamate
CID 166446222
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylsulfanylphenyl)acetamide
CID 27365004
tert-butyl N-(4-sulfanylphenyl)carbamate
CID 59412418
tert-butyl N-[4-(5-methylfuro[3,2-b]pyridin-2-yl)phenyl]carbamate
CID 142520421
ethane;4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)benzenethiol
CID 166491662
N-(4-tert-butylphenyl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4312624
tert-butyl N-[1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl]carbamate
CID 118418714

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]carbamate (CID 84818701) is tert-butyl N-[4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]carbamate is CSc1nnc(-c2ccc(NC(=O)OC(C)(C)C)cc2)o1.
What is the InChIKey of tert-butyl N-[4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]carbamate?
The InChIKey is BLSKFHGFCVZQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-14(2,3)20-12(18)15-10-7-5-9(6-8-10)11-16-17-13(19-11)21-4/h5-8H,1-4H3,(H,15,18).
What are the key properties of tert-butyl N-[4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]carbamate?
tert-butyl N-[4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]carbamate has a molecular weight of 307.38 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]carbamate is sourced from PubChem (CID 84818701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).