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

C13H16N4O3 — CID 56770463

IUPACtert-butyl N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1nc(-c2ccncc2)no1
InChIInChI=1S/C13H16N4O3/c1-13(2,3)19-12(18)15-8-10-16-11(17-20-10)9-4-6-14-7-5-9/h4-7H,8H2,1-3H3,(H,15,18)
InChIKeyXUQIEQPZMKABSN-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.16
Rot. Bonds3

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

tert-butyl N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]carbamate (PubChem CID 56770463) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is tert-butyl N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]carbamate
PubChem CID56770463
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Nametert-butyl N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1nc(-c2ccncc2)no1
InChIInChI=1S/C13H16N4O3/c1-13(2,3)19-12(18)15-8-10-16-11(17-20-10)9-4-6-14-7-5-9/h4-7H,8H2,1-3H3,(H,15,18)
InChIKeyXUQIEQPZMKABSN-UHFFFAOYSA-N
XLogP2.16
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylcarbamic acid
CID 69190964
tert-butyl N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
CID 171336753
4-methylsulfanyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 78839044
tert-butyl N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]carbamate
CID 71124077
tert-butyl N-[[3-[4-[4-(oxiran-2-ylmethylsulfanyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]methyl]carbamate
CID 134443425
N-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanamine;bis(2,2,2-trifluoroacetic acid)
CID 75530724
3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 122558222
tert-butyl N-[4-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-4-oxobutyl]carbamate
CID 170422176
cis-(1S,3R)-2,2-dimethyl-3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 95859031
tert-butyl N-[4-[[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]amino]-4-oxobutyl]carbamate
CID 56563623
tert-butyl 3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]azetidine-1-carboxylate
CID 102655349
tert-butyl N-[2-methoxy-5-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]carbamate
CID 55654493

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]carbamate (CID 56770463) is tert-butyl N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]carbamate is CC(C)(C)OC(=O)NCc1nc(-c2ccncc2)no1.
What is the InChIKey of tert-butyl N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]carbamate?
The InChIKey is XUQIEQPZMKABSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-13(2,3)19-12(18)15-8-10-16-11(17-20-10)9-4-6-14-7-5-9/h4-7H,8H2,1-3H3,(H,15,18).
What are the key properties of tert-butyl N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]carbamate?
tert-butyl N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]carbamate has a molecular weight of 276.30 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]carbamate is sourced from PubChem (CID 56770463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).