N-[[6-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-3-hydroxyoxan-2-yl]methyl]propanamide

C17H28N2O4 — CID 163087352

IUPACN-[[6-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-3-hydroxyoxan-2-yl]methyl]propanamide
SMILESCCC(=O)NCC1OC(Cc2cc(C(C)(C)C)on2)CCC1O
InChIInChI=1S/C17H28N2O4/c1-5-16(21)18-10-14-13(20)7-6-12(22-14)8-11-9-15(23-19-11)17(2,3)4/h9,12-14,20H,5-8,10H2,1-4H3,(H,18,21)
InChIKeyBBZFHMKSMOAVOB-UHFFFAOYSA-N
MW324.42 g/mol
LogP1.95
Rot. Bonds5

About N-[[6-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-3-hydroxyoxan-2-yl]methyl]propanamide

N-[[6-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-3-hydroxyoxan-2-yl]methyl]propanamide (PubChem CID 163087352) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[[6-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-3-hydroxyoxan-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[6-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-3-hydroxyoxan-2-yl]methyl]propanamide
PubChem CID163087352
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC NameN-[[6-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-3-hydroxyoxan-2-yl]methyl]propanamide
SMILESCCC(=O)NCC1OC(Cc2cc(C(C)(C)C)on2)CCC1O
InChIInChI=1S/C17H28N2O4/c1-5-16(21)18-10-14-13(20)7-6-12(22-14)8-11-9-15(23-19-11)17(2,3)4/h9,12-14,20H,5-8,10H2,1-4H3,(H,18,21)
InChIKeyBBZFHMKSMOAVOB-UHFFFAOYSA-N
XLogP1.95
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-3-hydroxyoxan-2-yl]methyl]propanamide?
The IUPAC name of N-[[6-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-3-hydroxyoxan-2-yl]methyl]propanamide (CID 163087352) is N-[[6-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-3-hydroxyoxan-2-yl]methyl]propanamide.
What is the SMILES notation for N-[[6-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-3-hydroxyoxan-2-yl]methyl]propanamide?
The canonical SMILES for N-[[6-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-3-hydroxyoxan-2-yl]methyl]propanamide is CCC(=O)NCC1OC(Cc2cc(C(C)(C)C)on2)CCC1O.
What is the InChIKey of N-[[6-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-3-hydroxyoxan-2-yl]methyl]propanamide?
The InChIKey is BBZFHMKSMOAVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4/c1-5-16(21)18-10-14-13(20)7-6-12(22-14)8-11-9-15(23-19-11)17(2,3)4/h9,12-14,20H,5-8,10H2,1-4H3,(H,18,21).
What are the key properties of N-[[6-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-3-hydroxyoxan-2-yl]methyl]propanamide?
N-[[6-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-3-hydroxyoxan-2-yl]methyl]propanamide has a molecular weight of 324.42 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-3-hydroxyoxan-2-yl]methyl]propanamide is sourced from PubChem (CID 163087352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).