N-[(2-tert-butyloxan-3-yl)methyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide

C23H32N2O4 — CID 86971593

IUPACN-[(2-tert-butyloxan-3-yl)methyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide
SMILESCOc1ccc(-c2cnc(CCC(=O)NCC3CCCOC3C(C)(C)C)o2)cc1
InChIInChI=1S/C23H32N2O4/c1-23(2,3)22-17(6-5-13-28-22)14-24-20(26)11-12-21-25-15-19(29-21)16-7-9-18(27-4)10-8-16/h7-10,15,17,22H,5-6,11-14H2,1-4H3,(H,24,26)
InChIKeySKUALNYBRXVODP-UHFFFAOYSA-N
MW400.52 g/mol
LogP4.24
Rot. Bonds7

About N-[(2-tert-butyloxan-3-yl)methyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide

N-[(2-tert-butyloxan-3-yl)methyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 86971593) has the molecular formula C23H32N2O4 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-[(2-tert-butyloxan-3-yl)methyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[(2-tert-butyloxan-3-yl)methyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID86971593
Molecular FormulaC23H32N2O4
Molecular Weight400.52 g/mol
Exact Mass400.24
IUPAC NameN-[(2-tert-butyloxan-3-yl)methyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide
SMILESCOc1ccc(-c2cnc(CCC(=O)NCC3CCCOC3C(C)(C)C)o2)cc1
InChIInChI=1S/C23H32N2O4/c1-23(2,3)22-17(6-5-13-28-22)14-24-20(26)11-12-21-25-15-19(29-21)16-7-9-18(27-4)10-8-16/h7-10,15,17,22H,5-6,11-14H2,1-4H3,(H,24,26)
InChIKeySKUALNYBRXVODP-UHFFFAOYSA-N
XLogP4.24
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-[(2-phenyloxan-3-yl)methyl]propanamide
CID 86867826
N-[(2-hydroxycyclopentyl)methyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide
CID 111471424
3-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 133150016
3-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 133245079
N-(oxolan-2-ylmethyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784774
N-[[(2S)-oxolan-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 30822933
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide
CID 86962574
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 7419913
trans-(1S,2R)-2-[[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 108809128
3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 51128497
N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-(5-methylfuran-2-yl)propanamide
CID 129002323
N-[1-[(2-tert-butyloxan-3-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 86971626

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyloxan-3-yl)methyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-[(2-tert-butyloxan-3-yl)methyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide (CID 86971593) is N-[(2-tert-butyloxan-3-yl)methyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-[(2-tert-butyloxan-3-yl)methyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-[(2-tert-butyloxan-3-yl)methyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide is COc1ccc(-c2cnc(CCC(=O)NCC3CCCOC3C(C)(C)C)o2)cc1.
What is the InChIKey of N-[(2-tert-butyloxan-3-yl)methyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is SKUALNYBRXVODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4/c1-23(2,3)22-17(6-5-13-28-22)14-24-20(26)11-12-21-25-15-19(29-21)16-7-9-18(27-4)10-8-16/h7-10,15,17,22H,5-6,11-14H2,1-4H3,(H,24,26).
What are the key properties of N-[(2-tert-butyloxan-3-yl)methyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide?
N-[(2-tert-butyloxan-3-yl)methyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 400.52 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyloxan-3-yl)methyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 86971593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).