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

C16H30N4O3 — CID 47077852

IUPACtert-butyl N-[2-[5-[(2-methylbutan-2-ylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate
SMILESCCC(C)(C)NCc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1
InChIInChI=1S/C16H30N4O3/c1-9-15(5,6)17-10-11-18-12(20-23-11)16(7,8)19-13(21)22-14(2,3)4/h17H,9-10H2,1-8H3,(H,19,21)
InChIKeyQRPRNRRRZSGBRF-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.11
Rot. Bonds6

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

tert-butyl N-[2-[5-[(2-methylbutan-2-ylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate (PubChem CID 47077852) has the molecular formula C16H30N4O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is tert-butyl N-[2-[5-[(2-methylbutan-2-ylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[5-[(2-methylbutan-2-ylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate
PubChem CID47077852
Molecular FormulaC16H30N4O3
Molecular Weight326.44 g/mol
Exact Mass326.23
IUPAC Nametert-butyl N-[2-[5-[(2-methylbutan-2-ylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate
SMILESCCC(C)(C)NCc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1
InChIInChI=1S/C16H30N4O3/c1-9-15(5,6)17-10-11-18-12(20-23-11)16(7,8)19-13(21)22-14(2,3)4/h17H,9-10H2,1-8H3,(H,19,21)
InChIKeyQRPRNRRRZSGBRF-UHFFFAOYSA-N
XLogP3.11
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[5-[(2-methylbutan-2-ylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[2-[5-[(2-methylbutan-2-ylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate (CID 47077852) is tert-butyl N-[2-[5-[(2-methylbutan-2-ylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[5-[(2-methylbutan-2-ylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-[5-[(2-methylbutan-2-ylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate is CCC(C)(C)NCc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1.
What is the InChIKey of tert-butyl N-[2-[5-[(2-methylbutan-2-ylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate?
The InChIKey is QRPRNRRRZSGBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O3/c1-9-15(5,6)17-10-11-18-12(20-23-11)16(7,8)19-13(21)22-14(2,3)4/h17H,9-10H2,1-8H3,(H,19,21).
What are the key properties of tert-butyl N-[2-[5-[(2-methylbutan-2-ylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate?
tert-butyl N-[2-[5-[(2-methylbutan-2-ylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate has a molecular weight of 326.44 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[5-[(2-methylbutan-2-ylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate is sourced from PubChem (CID 47077852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).