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

C15H22N4O4 — CID 71846045

IUPACtert-butyl N-[1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]ethyl]carbamate
SMILESCc1noc(C)c1Cc1nc(C(C)NC(=O)OC(C)(C)C)no1
InChIInChI=1S/C15H22N4O4/c1-8-11(10(3)22-18-8)7-12-17-13(19-23-12)9(2)16-14(20)21-15(4,5)6/h9H,7H2,1-6H3,(H,16,20)
InChIKeyCDGYAQRBVXRQRW-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.85
Rot. Bonds4

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

tert-butyl N-[1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]ethyl]carbamate (PubChem CID 71846045) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is tert-butyl N-[1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]ethyl]carbamate
PubChem CID71846045
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC Nametert-butyl N-[1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]ethyl]carbamate
SMILESCc1noc(C)c1Cc1nc(C(C)NC(=O)OC(C)(C)C)no1
InChIInChI=1S/C15H22N4O4/c1-8-11(10(3)22-18-8)7-12-17-13(19-23-12)9(2)16-14(20)21-15(4,5)6/h9H,7H2,1-6H3,(H,16,20)
InChIKeyCDGYAQRBVXRQRW-UHFFFAOYSA-N
XLogP2.85
TPSA103.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]ethyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]carbamate
CID 107236775
tert-butyl N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamate
CID 56770615
tert-butyl N-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]carbamate
CID 70964240
ethyl 3-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-5-carboxylate
CID 59421483
tert-butyl N-[1-[[N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethylcarbamimidoyl]-methylamino]-4-methylpentan-3-yl]carbamate
CID 109413171
tert-butyl N-[(2S)-4-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)pentan-2-yl]carbamate
CID 167047360
(2S,3S)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-3-methylpentanoic acid
CID 61136424
tert-butyl N-[(1R)-1-[5-(hydroxymethyl)-1,2-oxazol-3-yl]ethyl]carbamate
CID 130748149
tert-butyl N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydroxypropyl]carbamate
CID 170831622
3-methylpentan-3-yl 3-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-5-carboxylate
CID 86729792
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide
CID 111480631
tert-butyl N-[1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]carbamate
CID 123780941

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]ethyl]carbamate (CID 71846045) is tert-butyl N-[1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]ethyl]carbamate is Cc1noc(C)c1Cc1nc(C(C)NC(=O)OC(C)(C)C)no1.
What is the InChIKey of tert-butyl N-[1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]ethyl]carbamate?
The InChIKey is CDGYAQRBVXRQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4/c1-8-11(10(3)22-18-8)7-12-17-13(19-23-12)9(2)16-14(20)21-15(4,5)6/h9H,7H2,1-6H3,(H,16,20).
What are the key properties of tert-butyl N-[1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]ethyl]carbamate?
tert-butyl N-[1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]ethyl]carbamate has a molecular weight of 322.37 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]ethyl]carbamate is sourced from PubChem (CID 71846045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).