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

C18H25N3O4 — CID 146142992

IUPACtert-butyl N-[2-[5-[(4-hydroxy-2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate
SMILESCc1cc(O)ccc1Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1
InChIInChI=1S/C18H25N3O4/c1-11-9-13(22)8-7-12(11)10-14-19-15(21-25-14)18(5,6)20-16(23)24-17(2,3)4/h7-9,22H,10H2,1-6H3,(H,20,23)
InChIKeyCJNIPEXQOJCFDD-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.43
Rot. Bonds4

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

tert-butyl N-[2-[5-[(4-hydroxy-2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate (PubChem CID 146142992) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is tert-butyl N-[2-[5-[(4-hydroxy-2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[5-[(4-hydroxy-2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate
PubChem CID146142992
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Nametert-butyl N-[2-[5-[(4-hydroxy-2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate
SMILESCc1cc(O)ccc1Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1
InChIInChI=1S/C18H25N3O4/c1-11-9-13(22)8-7-12(11)10-14-19-15(21-25-14)18(5,6)20-16(23)24-17(2,3)4/h7-9,22H,10H2,1-6H3,(H,20,23)
InChIKeyCJNIPEXQOJCFDD-UHFFFAOYSA-N
XLogP3.43
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[2-[5-[(4-hydroxy-2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate with MolForge

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Related Compounds

N-[2-[5-[(4-hydroxy-2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
CID 138009431
tert-butyl N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]carbamate
CID 71113127
tert-butyl N-[(4-hydroxy-2-methylphenyl)methyl]carbamate
CID 136664415
tert-butyl N-[2-[5-[[cyclohexyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate
CID 47077840
tert-butyl N-[2-[5-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate
CID 47077854
methyl (2R)-3-[benzyl-[[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]-1,2,4-oxadiazol-5-yl]methyl]amino]-2-methylpropanoate
CID 52829911
methyl (2S)-3-(4-hydroxy-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 68762614
tert-butyl N-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]carbamate
CID 70964240
tert-butyl N-[2,3-dihydroxy-3-(4-hydroxy-2-methylphenyl)propyl]carbamate
CID 170831737
N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(3-methylphenoxy)propanamide
CID 86857354
tert-butyl N-[2-hydroxy-2-(4-hydroxy-2-methylphenyl)ethyl]carbamate
CID 77221627
2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]phenol
CID 80740910

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[5-[(4-hydroxy-2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[2-[5-[(4-hydroxy-2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate (CID 146142992) is tert-butyl N-[2-[5-[(4-hydroxy-2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[5-[(4-hydroxy-2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-[5-[(4-hydroxy-2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate is Cc1cc(O)ccc1Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1.
What is the InChIKey of tert-butyl N-[2-[5-[(4-hydroxy-2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate?
The InChIKey is CJNIPEXQOJCFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-11-9-13(22)8-7-12(11)10-14-19-15(21-25-14)18(5,6)20-16(23)24-17(2,3)4/h7-9,22H,10H2,1-6H3,(H,20,23).
What are the key properties of tert-butyl N-[2-[5-[(4-hydroxy-2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate?
tert-butyl N-[2-[5-[(4-hydroxy-2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate has a molecular weight of 347.42 g/mol, XLogP of 3.43, 4 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-[(4-hydroxy-2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate is sourced from PubChem (CID 146142992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).