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

C14H17N3O3 — CID 57202777

IUPACmethyl N-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]carbamate
SMILESCOC(=O)Nc1cccc(-c2noc(C(C)(C)C)n2)c1
InChIInChI=1S/C14H17N3O3/c1-14(2,3)12-16-11(17-20-12)9-6-5-7-10(8-9)15-13(18)19-4/h5-8H,1-4H3,(H,15,18)
InChIKeyQCOFSSVHNAELMA-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.21
Rot. Bonds2

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

methyl N-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]carbamate (PubChem CID 57202777) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is methyl N-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]carbamate
PubChem CID57202777
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Namemethyl N-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]carbamate
SMILESCOC(=O)Nc1cccc(-c2noc(C(C)(C)C)n2)c1
InChIInChI=1S/C14H17N3O3/c1-14(2,3)12-16-11(17-20-12)9-6-5-7-10(8-9)15-13(18)19-4/h5-8H,1-4H3,(H,15,18)
InChIKeyQCOFSSVHNAELMA-UHFFFAOYSA-N
XLogP3.21
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-propan-2-yl-3-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 54470353
tert-butyl N-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]carbamate
CID 67026126
N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide
CID 20896103
tert-butyl N-[3-[5-[[[4-(trifluoromethyl)phenyl]carbamothioylamino]carbamoyl]-1,2,4-oxadiazol-3-yl]phenyl]carbamate
CID 24949372
methyl N-[4-[[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]phenyl]carbamate
CID 133317526
4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 25219299
2-(2-methoxyethylamino)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide
CID 119741042
tert-butyl N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]carbamate
CID 101095799
N-[3-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 21358511
1-tert-butyl-3-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 75379397
3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1,2-oxazole-5-carboxylic acid
CID 117489516
N-[4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]phenyl]acetamide
CID 50777698

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]carbamate?
The IUPAC name of methyl N-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]carbamate (CID 57202777) is methyl N-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]carbamate.
What is the SMILES notation for methyl N-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]carbamate?
The canonical SMILES for methyl N-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]carbamate is COC(=O)Nc1cccc(-c2noc(C(C)(C)C)n2)c1.
What is the InChIKey of methyl N-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]carbamate?
The InChIKey is QCOFSSVHNAELMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-14(2,3)12-16-11(17-20-12)9-6-5-7-10(8-9)15-13(18)19-4/h5-8H,1-4H3,(H,15,18).
What are the key properties of methyl N-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]carbamate?
methyl N-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]carbamate has a molecular weight of 275.31 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]carbamate is sourced from PubChem (CID 57202777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).