N-[(4-hydroxyoxan-4-yl)methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

C18H22N2O4 — CID 111486053

IUPACN-[(4-hydroxyoxan-4-yl)methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESO=C(CCc1ncc(-c2ccccc2)o1)NCC1(O)CCOCC1
InChIInChI=1S/C18H22N2O4/c21-16(20-13-18(22)8-10-23-11-9-18)6-7-17-19-12-15(24-17)14-4-2-1-3-5-14/h1-5,12,22H,6-11,13H2,(H,20,21)
InChIKeyHEBHEKVRCWOOPE-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.93
Rot. Bonds6

About N-[(4-hydroxyoxan-4-yl)methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

N-[(4-hydroxyoxan-4-yl)methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (PubChem CID 111486053) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[(4-hydroxyoxan-4-yl)methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
PubChem CID111486053
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC NameN-[(4-hydroxyoxan-4-yl)methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESO=C(CCc1ncc(-c2ccccc2)o1)NCC1(O)CCOCC1
InChIInChI=1S/C18H22N2O4/c21-16(20-13-18(22)8-10-23-11-9-18)6-7-17-19-12-15(24-17)14-4-2-1-3-5-14/h1-5,12,22H,6-11,13H2,(H,20,21)
InChIKeyHEBHEKVRCWOOPE-UHFFFAOYSA-N
XLogP1.93
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-hydroxycyclohexyl)methyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 110936606
3-(5-phenyl-1,3-oxazol-2-yl)-N-propylpropanamide
CID 18135781
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(1-phenylcyclobutyl)methyl]propanamide
CID 24598429
N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51311777
N-[[(2S)-oxolan-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 30822933
N-(4-phenylbutyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 18138486
N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 60578167
N-[2-(ethylamino)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 119505974
3-[2-[3-(5-phenyl-1,3-oxazol-2-yl)propanoylamino]ethyldisulfanyl]propanoic acid
CID 166422727
2-[4-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]oxan-4-yl]acetic acid
CID 119215346
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 46511214
3-(2-aminophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
CID 107273259

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (CID 111486053) is N-[(4-hydroxyoxan-4-yl)methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.
What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is O=C(CCc1ncc(-c2ccccc2)o1)NCC1(O)CCOCC1.
What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The InChIKey is HEBHEKVRCWOOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c21-16(20-13-18(22)8-10-23-11-9-18)6-7-17-19-12-15(24-17)14-4-2-1-3-5-14/h1-5,12,22H,6-11,13H2,(H,20,21).
What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
N-[(4-hydroxyoxan-4-yl)methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide has a molecular weight of 330.38 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyoxan-4-yl)methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is sourced from PubChem (CID 111486053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).