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

C22H24N2O2 — CID 71839791

IUPACN-[(2,5-dimethylphenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide
SMILESCc1cccc(-c2nocc2CCC(=O)NCc2cc(C)ccc2C)c1
InChIInChI=1S/C22H24N2O2/c1-15-5-4-6-18(11-15)22-19(14-26-24-22)9-10-21(25)23-13-20-12-16(2)7-8-17(20)3/h4-8,11-12,14H,9-10,13H2,1-3H3,(H,23,25)
InChIKeyHQDFAQOBFIONTL-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.52
Rot. Bonds6

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

N-[(2,5-dimethylphenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide (PubChem CID 71839791) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide
PubChem CID71839791
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC NameN-[(2,5-dimethylphenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide
SMILESCc1cccc(-c2nocc2CCC(=O)NCc2cc(C)ccc2C)c1
InChIInChI=1S/C22H24N2O2/c1-15-5-4-6-18(11-15)22-19(14-26-24-22)9-10-21(25)23-13-20-12-16(2)7-8-17(20)3/h4-8,11-12,14H,9-10,13H2,1-3H3,(H,23,25)
InChIKeyHQDFAQOBFIONTL-UHFFFAOYSA-N
XLogP4.52
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylphenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide
CID 71839806
N-[(4-chlorophenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide
CID 71839812
N-[(4-methylphenyl)methyl]-3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide
CID 71839834
3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 71839823
N-benzyl-3-[3-(3-fluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 53161773
N-[(2-chloro-4-fluorophenyl)methyl]-3-(3-phenyl-1,2-oxazol-4-yl)propanamide
CID 71839873
3-(3-phenyl-1,2-oxazol-4-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 71839854
3-bromo-N-[(2,5-dimethylphenyl)methyl]propanamide
CID 82109130
N-(cyclopropylmethyl)-3-[3-(3-fluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 53161791
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propan-1-one
CID 71839819
N-[(2,5-dimethylphenyl)methyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
CID 74248825
N-[(2,5-dimethylphenyl)methyl]-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 131890257

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide?
The IUPAC name of N-[(2,5-dimethylphenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide (CID 71839791) is N-[(2,5-dimethylphenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide.
What is the SMILES notation for N-[(2,5-dimethylphenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide?
The canonical SMILES for N-[(2,5-dimethylphenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide is Cc1cccc(-c2nocc2CCC(=O)NCc2cc(C)ccc2C)c1.
What is the InChIKey of N-[(2,5-dimethylphenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide?
The InChIKey is HQDFAQOBFIONTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-15-5-4-6-18(11-15)22-19(14-26-24-22)9-10-21(25)23-13-20-12-16(2)7-8-17(20)3/h4-8,11-12,14H,9-10,13H2,1-3H3,(H,23,25).
What are the key properties of N-[(2,5-dimethylphenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide?
N-[(2,5-dimethylphenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide has a molecular weight of 348.45 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide is sourced from PubChem (CID 71839791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).