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

C27H31N3O5 — CID 10238837

IUPAC3-(2,5-dimethoxyphenyl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]propanamide
SMILESCOc1ccc(OC)c(CCC(=O)NCc2ccc(-c3nc(C(=O)N4CCCCC4)co3)cc2)c1
InChIInChI=1S/C27H31N3O5/c1-33-22-11-12-24(34-2)21(16-22)10-13-25(31)28-17-19-6-8-20(9-7-19)26-29-23(18-35-26)27(32)30-14-4-3-5-15-30/h6-9,11-12,16,18H,3-5,10,13-15,17H2,1-2H3,(H,28,31)
InChIKeyABANCJTXHZXGRD-UHFFFAOYSA-N
MW477.56 g/mol
LogP4.23
Rot. Bonds9

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

3-(2,5-dimethoxyphenyl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]propanamide (PubChem CID 10238837) has the molecular formula C27H31N3O5 and a molecular weight of 477.56 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]propanamide
PubChem CID10238837
Molecular FormulaC27H31N3O5
Molecular Weight477.56 g/mol
Exact Mass477.23
IUPAC Name3-(2,5-dimethoxyphenyl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]propanamide
SMILESCOc1ccc(OC)c(CCC(=O)NCc2ccc(-c3nc(C(=O)N4CCCCC4)co3)cc2)c1
InChIInChI=1S/C27H31N3O5/c1-33-22-11-12-24(34-2)21(16-22)10-13-25(31)28-17-19-6-8-20(9-7-19)26-29-23(18-35-26)27(32)30-14-4-3-5-15-30/h6-9,11-12,16,18H,3-5,10,13-15,17H2,1-2H3,(H,28,31)
InChIKeyABANCJTXHZXGRD-UHFFFAOYSA-N
XLogP4.23
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.56
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenyl)-N-[[4-[4-(3-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
CID 10127481
N-[[4-[4-(azepane-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-thiophen-3-ylacetamide
CID 10238050
2-(4-aminophenyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 3812541
3-(2,5-dimethoxyphenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 38018921
2-methyl-3-phenyl-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]propanamide
CID 10127230
3-(2,5-dimethoxyphenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide
CID 38143412
3-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]-3-oxopropanamide
CID 108947043
3-(3,4-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]propanamide
CID 33109851
N-(2-acetamidoethyl)-3-(2,5-dimethoxyphenyl)propanamide
CID 38004607
1-[4-[2-[[(2,5-dimethoxyphenyl)methyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carbonyl]piperazin-1-yl]ethanone
CID 42835014
N-[(4-methoxyphenyl)methyl]-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108941955
N-[(4-methoxyphenyl)methyl]-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081049

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]propanamide?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]propanamide (CID 10238837) is 3-(2,5-dimethoxyphenyl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]propanamide.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]propanamide?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]propanamide is COc1ccc(OC)c(CCC(=O)NCc2ccc(-c3nc(C(=O)N4CCCCC4)co3)cc2)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]propanamide?
The InChIKey is ABANCJTXHZXGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O5/c1-33-22-11-12-24(34-2)21(16-22)10-13-25(31)28-17-19-6-8-20(9-7-19)26-29-23(18-35-26)27(32)30-14-4-3-5-15-30/h6-9,11-12,16,18H,3-5,10,13-15,17H2,1-2H3,(H,28,31).
What are the key properties of 3-(2,5-dimethoxyphenyl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]propanamide?
3-(2,5-dimethoxyphenyl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]propanamide has a molecular weight of 477.56 g/mol, XLogP of 4.23, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]propanamide is sourced from PubChem (CID 10238837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).