cis-(1S,2R)-2-(2,5-dimethoxyphenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclopropane-1-carboxamide

C19H24N2O4 — CID 99824978

IUPACcis-(1S,2R)-2-(2,5-dimethoxyphenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclopropane-1-carboxamide
SMILESCOc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N(C)Cc2c(C)noc2C)c1
InChIInChI=1S/C19H24N2O4/c1-11-17(12(2)25-20-11)10-21(3)19(22)16-9-14(16)15-8-13(23-4)6-7-18(15)24-5/h6-8,14,16H,9-10H2,1-5H3/t14-,16-/m0/s1
InChIKeyQGBYXZUBHCGNRL-HOCLYGCPSA-N
MW344.41 g/mol
LogP3.07
Rot. Bonds6

About cis-(1S,2R)-2-(2,5-dimethoxyphenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclopropane-1-carboxamide

cis-(1S,2R)-2-(2,5-dimethoxyphenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclopropane-1-carboxamide (PubChem CID 99824978) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is cis-(1S,2R)-2-(2,5-dimethoxyphenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-(2,5-dimethoxyphenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclopropane-1-carboxamide
PubChem CID99824978
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Namecis-(1S,2R)-2-(2,5-dimethoxyphenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclopropane-1-carboxamide
SMILESCOc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N(C)Cc2c(C)noc2C)c1
InChIInChI=1S/C19H24N2O4/c1-11-17(12(2)25-20-11)10-21(3)19(22)16-9-14(16)15-8-13(23-4)6-7-18(15)24-5/h6-8,14,16H,9-10H2,1-5H3/t14-,16-/m0/s1
InChIKeyQGBYXZUBHCGNRL-HOCLYGCPSA-N
XLogP3.07
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-2-[[(1S,2R)-2-(2,5-dimethoxyphenyl)cyclopropanecarbonyl]-methylamino]propanoate
CID 125140826
trans-(1R,2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 93379121
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]ethanone
CID 60509738
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 33080733
N-(2,5-dimethoxyphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 30273731
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide
CID 32761183
(3S,4R)-N-benzyl-4-(2,5-dimethoxyphenyl)-N-methyl-1-(4-methylbenzoyl)pyrrolidine-3-carboxamide
CID 93153939
4-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclopent-2-ene-1-carboxamide
CID 79210408
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dimethoxybenzamide
CID 47861665
[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanone
CID 41292877
4-(2,5-dimethoxyphenyl)-N-ethyl-1-(4-methoxybenzoyl)-N-methylpyrrolidine-3-carboxamide
CID 42681611
N-(2,5-dimethoxyphenyl)sulfonyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 71892345

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(2,5-dimethoxyphenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-(2,5-dimethoxyphenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclopropane-1-carboxamide (CID 99824978) is cis-(1S,2R)-2-(2,5-dimethoxyphenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-(2,5-dimethoxyphenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-(2,5-dimethoxyphenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclopropane-1-carboxamide is COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N(C)Cc2c(C)noc2C)c1.
What is the InChIKey of cis-(1S,2R)-2-(2,5-dimethoxyphenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclopropane-1-carboxamide?
The InChIKey is QGBYXZUBHCGNRL-HOCLYGCPSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-11-17(12(2)25-20-11)10-21(3)19(22)16-9-14(16)15-8-13(23-4)6-7-18(15)24-5/h6-8,14,16H,9-10H2,1-5H3/t14-,16-/m0/s1.
What are the key properties of cis-(1S,2R)-2-(2,5-dimethoxyphenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclopropane-1-carboxamide?
cis-(1S,2R)-2-(2,5-dimethoxyphenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclopropane-1-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(2,5-dimethoxyphenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 99824978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).