N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide

C22H25N3O3 — CID 16676131

IUPACN-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide
SMILESCOc1cc(C)c(CNC(=O)c2c(-c3ccncc3)noc2C)cc1C(C)C
InChIInChI=1S/C22H25N3O3/c1-13(2)18-11-17(14(3)10-19(18)27-5)12-24-22(26)20-15(4)28-25-21(20)16-6-8-23-9-7-16/h6-11,13H,12H2,1-5H3,(H,24,26)
InChIKeyWELPORZXTLDVAY-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.42
Rot. Bonds6

About N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide

N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide (PubChem CID 16676131) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide
PubChem CID16676131
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide
SMILESCOc1cc(C)c(CNC(=O)c2c(-c3ccncc3)noc2C)cc1C(C)C
InChIInChI=1S/C22H25N3O3/c1-13(2)18-11-17(14(3)10-19(18)27-5)12-24-22(26)20-15(4)28-25-21(20)16-6-8-23-9-7-16/h6-11,13H,12H2,1-5H3,(H,24,26)
InChIKeyWELPORZXTLDVAY-UHFFFAOYSA-N
XLogP4.42
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]pyridine-3-carboxamide;hydrochloride
CID 110781248
N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide
CID 51498087
N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]acetamide
CID 110781243
3-(3-bromophenyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 50805427
N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 46963422
3-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 110682416
N-(cyanomethyl)-2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)acetamide
CID 96665573
N-[2-(4-ethoxyphenyl)ethyl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide
CID 53001941
N-[(2-ethoxyphenyl)methyl]-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 53001859
3-(4-chlorophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 143074953
3-(2-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 50805759
5-methyl-N-(3-methyl-4-propan-2-ylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 155518641

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide (CID 16676131) is N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide is COc1cc(C)c(CNC(=O)c2c(-c3ccncc3)noc2C)cc1C(C)C.
What is the InChIKey of N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide?
The InChIKey is WELPORZXTLDVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-13(2)18-11-17(14(3)10-19(18)27-5)12-24-22(26)20-15(4)28-25-21(20)16-6-8-23-9-7-16/h6-11,13H,12H2,1-5H3,(H,24,26).
What are the key properties of N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide?
N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 16676131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).