2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide

C19H27N3O3 — CID 87016535

IUPAC2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide
SMILESCc1cc(CN(C)CC(=O)NCCc2ccc(OC(C)C)cc2)no1
InChIInChI=1S/C19H27N3O3/c1-14(2)24-18-7-5-16(6-8-18)9-10-20-19(23)13-22(4)12-17-11-15(3)25-21-17/h5-8,11,14H,9-10,12-13H2,1-4H3,(H,20,23)
InChIKeyAHMPAFHCHJLESE-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.56
Rot. Bonds9

About 2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide

2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide (PubChem CID 87016535) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide
PubChem CID87016535
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide
SMILESCc1cc(CN(C)CC(=O)NCCc2ccc(OC(C)C)cc2)no1
InChIInChI=1S/C19H27N3O3/c1-14(2)24-18-7-5-16(6-8-18)9-10-20-19(23)13-22(4)12-17-11-15(3)25-21-17/h5-8,11,14H,9-10,12-13H2,1-4H3,(H,20,23)
InChIKeyAHMPAFHCHJLESE-UHFFFAOYSA-N
XLogP2.56
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
CID 8810396
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]pyridine-3-carboxamide
CID 33158106
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761409
3-[[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-methylamino]propanoic acid
CID 119911233
N-(2,5-dimethylphenyl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide
CID 9321819
2-[[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 38878190
N-[1-(2,6-difluorophenyl)propan-2-yl]-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide
CID 87016546
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(N,2,5-trimethylanilino)acetamide
CID 60525094
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetamide
CID 60500430
N-[2-(4-fluorophenyl)ethyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 18088830
N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 71917271
2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-(phenylcarbamoyl)acetamide
CID 36968374

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide (CID 87016535) is 2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide is Cc1cc(CN(C)CC(=O)NCCc2ccc(OC(C)C)cc2)no1.
What is the InChIKey of 2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide?
The InChIKey is AHMPAFHCHJLESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14(2)24-18-7-5-16(6-8-18)9-10-20-19(23)13-22(4)12-17-11-15(3)25-21-17/h5-8,11,14H,9-10,12-13H2,1-4H3,(H,20,23).
What are the key properties of 2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide?
2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide has a molecular weight of 345.44 g/mol, XLogP of 2.56, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide is sourced from PubChem (CID 87016535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).