N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C21H28N4O3 — CID 19493836

IUPACN-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCN(Cc1c(C)nn(CC)c1C)C(=O)C1CC(c2ccccc2OC)=NO1
InChIInChI=1S/C21H28N4O3/c1-6-24(13-17-14(3)22-25(7-2)15(17)4)21(26)20-12-18(23-28-20)16-10-8-9-11-19(16)27-5/h8-11,20H,6-7,12-13H2,1-5H3
InChIKeyFLVPNEKSMOFSFN-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.07
Rot. Bonds7

About N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 19493836) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID19493836
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC NameN-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCN(Cc1c(C)nn(CC)c1C)C(=O)C1CC(c2ccccc2OC)=NO1
InChIInChI=1S/C21H28N4O3/c1-6-24(13-17-14(3)22-25(7-2)15(17)4)21(26)20-12-18(23-28-20)16-10-8-9-11-19(16)27-5/h8-11,20H,6-7,12-13H2,1-5H3
InChIKeyFLVPNEKSMOFSFN-UHFFFAOYSA-N
XLogP3.07
TPSA68.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-N-(4-methoxybenzyl)-4,5-dihydroisoxazole-5-carboxamide
CID 3242934
3-(4-methoxyphenyl)-N-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]propanamide
CID 831902
N-methyl-N-[2-(2-methylphenoxy)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 51099754
1-[2-[(3,5-Dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 56779486
1-[3-(3,5-Dimethylpyrazol-1-yl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 72044136
N-(2-methoxyethyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]chromane-3-carboxamide
CID 72894136
1-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(2-methoxyphenyl)ethanone
CID 71837235
N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-(2-methoxyethyl)chromane-3-carboxamide
CID 72845590
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19491395
N-[1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19491645
N-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19491646
N-[1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493568

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 19493836) is N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is CCN(Cc1c(C)nn(CC)c1C)C(=O)C1CC(c2ccccc2OC)=NO1.
What is the InChIKey of N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is FLVPNEKSMOFSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-6-24(13-17-14(3)22-25(7-2)15(17)4)21(26)20-12-18(23-28-20)16-10-8-9-11-19(16)27-5/h8-11,20H,6-7,12-13H2,1-5H3.
What are the key properties of N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 3.07, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 19493836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).