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

C17H26N4O3 — CID 71969962

IUPACtert-butyl N-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyrazol-4-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cnn(Cc2ncc(C(C)(C)C)o2)c1
InChIInChI=1S/C17H26N4O3/c1-16(2,3)13-9-18-14(23-13)11-21-10-12(8-20-21)7-19-15(22)24-17(4,5)6/h8-10H,7,11H2,1-6H3,(H,19,22)
InChIKeyXHONEQFCWMXYMF-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.24
Rot. Bonds4

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

tert-butyl N-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyrazol-4-yl]methyl]carbamate (PubChem CID 71969962) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is tert-butyl N-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyrazol-4-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyrazol-4-yl]methyl]carbamate
PubChem CID71969962
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Nametert-butyl N-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyrazol-4-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cnn(Cc2ncc(C(C)(C)C)o2)c1
InChIInChI=1S/C17H26N4O3/c1-16(2,3)13-9-18-14(23-13)11-21-10-12(8-20-21)7-19-15(22)24-17(4,5)6/h8-10H,7,11H2,1-6H3,(H,19,22)
InChIKeyXHONEQFCWMXYMF-UHFFFAOYSA-N
XLogP3.24
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyrazol-4-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyrazol-4-yl]methyl]carbamate (CID 71969962) is tert-butyl N-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyrazol-4-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyrazol-4-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyrazol-4-yl]methyl]carbamate is CC(C)(C)OC(=O)NCc1cnn(Cc2ncc(C(C)(C)C)o2)c1.
What is the InChIKey of tert-butyl N-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyrazol-4-yl]methyl]carbamate?
The InChIKey is XHONEQFCWMXYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-16(2,3)13-9-18-14(23-13)11-21-10-12(8-20-21)7-19-15(22)24-17(4,5)6/h8-10H,7,11H2,1-6H3,(H,19,22).
What are the key properties of tert-butyl N-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyrazol-4-yl]methyl]carbamate?
tert-butyl N-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyrazol-4-yl]methyl]carbamate has a molecular weight of 334.42 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]pyrazol-4-yl]methyl]carbamate is sourced from PubChem (CID 71969962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).