3-(3-methoxyphenyl)-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]propanamide

C16H21N3O3 — CID 110368336

IUPAC3-(3-methoxyphenyl)-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]propanamide
SMILESCOc1cccc(CCC(=O)NCc2nnc(C(C)C)o2)c1
InChIInChI=1S/C16H21N3O3/c1-11(2)16-19-18-15(22-16)10-17-14(20)8-7-12-5-4-6-13(9-12)21-3/h4-6,9,11H,7-8,10H2,1-3H3,(H,17,20)
InChIKeyIJZMILMISZFVQO-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.45
Rot. Bonds7

About 3-(3-methoxyphenyl)-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]propanamide

3-(3-methoxyphenyl)-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]propanamide (PubChem CID 110368336) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]propanamide
PubChem CID110368336
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name3-(3-methoxyphenyl)-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]propanamide
SMILESCOc1cccc(CCC(=O)NCc2nnc(C(C)C)o2)c1
InChIInChI=1S/C16H21N3O3/c1-11(2)16-19-18-15(22-16)10-17-14(20)8-7-12-5-4-6-13(9-12)21-3/h4-6,9,11H,7-8,10H2,1-3H3,(H,17,20)
InChIKeyIJZMILMISZFVQO-UHFFFAOYSA-N
XLogP2.45
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methoxyphenyl)-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide
CID 110408609
N-benzyl-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334876
3-(3-methoxyphenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 47399076
3-(3-methoxyphenyl)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]propanamide
CID 110714640
2-(3-methoxyphenyl)-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 92599497
3-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 31100473
3-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-(2-methylsulfanylethyl)propanamide
CID 42344834
3-(3-methoxyphenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 134051001
N-[2-(3-methoxyphenyl)ethyl]-3-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 25386620
3-(3-methoxyphenyl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]propanamide
CID 110785147
N-[2-(3-methoxyphenyl)ethyl]-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334316
N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 110711831

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]propanamide?
The IUPAC name of 3-(3-methoxyphenyl)-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]propanamide (CID 110368336) is 3-(3-methoxyphenyl)-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]propanamide?
The canonical SMILES for 3-(3-methoxyphenyl)-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]propanamide is COc1cccc(CCC(=O)NCc2nnc(C(C)C)o2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]propanamide?
The InChIKey is IJZMILMISZFVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-11(2)16-19-18-15(22-16)10-17-14(20)8-7-12-5-4-6-13(9-12)21-3/h4-6,9,11H,7-8,10H2,1-3H3,(H,17,20).
What are the key properties of 3-(3-methoxyphenyl)-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]propanamide?
3-(3-methoxyphenyl)-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]propanamide has a molecular weight of 303.36 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]propanamide is sourced from PubChem (CID 110368336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).