N-[1-(4-methoxyphenyl)ethyl]-3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide

C22H24N2O3 — CID 53161741

IUPACN-[1-(4-methoxyphenyl)ethyl]-3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide
SMILESCOc1ccc(C(C)NC(=O)CCc2conc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C22H24N2O3/c1-15-4-6-18(7-5-15)22-19(14-27-24-22)10-13-21(25)23-16(2)17-8-11-20(26-3)12-9-17/h4-9,11-12,14,16H,10,13H2,1-3H3,(H,23,25)
InChIKeyNQHBWUYPSGVLTH-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.47
Rot. Bonds7

About N-[1-(4-methoxyphenyl)ethyl]-3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide

N-[1-(4-methoxyphenyl)ethyl]-3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide (PubChem CID 53161741) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethyl]-3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)ethyl]-3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide
PubChem CID53161741
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC NameN-[1-(4-methoxyphenyl)ethyl]-3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide
SMILESCOc1ccc(C(C)NC(=O)CCc2conc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C22H24N2O3/c1-15-4-6-18(7-5-15)22-19(14-27-24-22)10-13-21(25)23-16(2)17-8-11-20(26-3)12-9-17/h4-9,11-12,14,16H,10,13H2,1-3H3,(H,23,25)
InChIKeyNQHBWUYPSGVLTH-UHFFFAOYSA-N
XLogP4.47
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100760240
N-[1-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108796278
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
CID 100754420
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94843836
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 28574214
3-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide
CID 98697568
3-cyano-N-[1-(4-methoxyphenyl)ethyl]propanamide
CID 166383618
N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 136777354
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 81364091
N-[1-(4-methoxyphenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 66195262
4-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81371294
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81364090

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide?
The IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide (CID 53161741) is N-[1-(4-methoxyphenyl)ethyl]-3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)ethyl]-3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)ethyl]-3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide is COc1ccc(C(C)NC(=O)CCc2conc2-c2ccc(C)cc2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)ethyl]-3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide?
The InChIKey is NQHBWUYPSGVLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-15-4-6-18(7-5-15)22-19(14-27-24-22)10-13-21(25)23-16(2)17-8-11-20(26-3)12-9-17/h4-9,11-12,14,16H,10,13H2,1-3H3,(H,23,25).
What are the key properties of N-[1-(4-methoxyphenyl)ethyl]-3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide?
N-[1-(4-methoxyphenyl)ethyl]-3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide has a molecular weight of 364.45 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)ethyl]-3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide is sourced from PubChem (CID 53161741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).