N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1,3-oxazole-4-carboxamide

C18H18N2O5 — CID 95351210

IUPACN-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(OC)c([C@H](C)NC(=O)c2ncoc2-c2ccco2)c1
InChIInChI=1S/C18H18N2O5/c1-11(13-9-12(22-2)6-7-14(13)23-3)20-18(21)16-17(25-10-19-16)15-5-4-8-24-15/h4-11H,1-3H3,(H,20,21)/t11-/m0/s1
InChIKeyCMRWPUUYDVZDEX-NSHDSACASA-N
MW342.35 g/mol
LogP3.44
Rot. Bonds6

About N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1,3-oxazole-4-carboxamide

N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1,3-oxazole-4-carboxamide (PubChem CID 95351210) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1,3-oxazole-4-carboxamide
PubChem CID95351210
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC NameN-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(OC)c([C@H](C)NC(=O)c2ncoc2-c2ccco2)c1
InChIInChI=1S/C18H18N2O5/c1-11(13-9-12(22-2)6-7-14(13)23-3)20-18(21)16-17(25-10-19-16)15-5-4-8-24-15/h4-11H,1-3H3,(H,20,21)/t11-/m0/s1
InChIKeyCMRWPUUYDVZDEX-NSHDSACASA-N
XLogP3.44
TPSA86.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide
CID 55572070
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 18290500
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 18116626
5-(3-methoxyphenyl)-N-[(1S)-1-pyridin-4-ylethyl]-1,3-oxazole-4-carboxamide
CID 51492688
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 9477309
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluorobenzamide
CID 880770
N-[1-(2,5-dimethoxyphenyl)ethyl]-1H-indazole-3-carboxamide
CID 17397509
N-[1-(2,5-dimethoxyphenyl)ethyl]-1,5-dimethyl-4-nitropyrazole-3-carboxamide
CID 19266522
N-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 97020856
4-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]pyrimidine-2-carboxamide
CID 154797193
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 100712170
N-[4-[1-(2,5-dimethoxyphenyl)ethylamino]-4-oxobutyl]furan-2-carboxamide
CID 51207731

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1,3-oxazole-4-carboxamide (CID 95351210) is N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1,3-oxazole-4-carboxamide is COc1ccc(OC)c([C@H](C)NC(=O)c2ncoc2-c2ccco2)c1.
What is the InChIKey of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is CMRWPUUYDVZDEX-NSHDSACASA-N. The full InChI is InChI=1S/C18H18N2O5/c1-11(13-9-12(22-2)6-7-14(13)23-3)20-18(21)16-17(25-10-19-16)15-5-4-8-24-15/h4-11H,1-3H3,(H,20,21)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1,3-oxazole-4-carboxamide?
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 342.35 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 95351210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).