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

C24H32N4O4 — CID 110215427

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]oxane-4-carboxamide
SMILESCOc1ccccc1C1=NOC(CC2(C(=O)NCCn3nc(C)cc3C)CCOCC2)C1
InChIInChI=1S/C24H32N4O4/c1-17-14-18(2)28(26-17)11-10-25-23(29)24(8-12-31-13-9-24)16-19-15-21(27-32-19)20-6-4-5-7-22(20)30-3/h4-7,14,19H,8-13,15-16H2,1-3H3,(H,25,29)
InChIKeyAFMCURJKZMPSDQ-UHFFFAOYSA-N
MW440.54 g/mol
LogP3.00
Rot. Bonds8

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

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]oxane-4-carboxamide (PubChem CID 110215427) has the molecular formula C24H32N4O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]oxane-4-carboxamide
PubChem CID110215427
Molecular FormulaC24H32N4O4
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]oxane-4-carboxamide
SMILESCOc1ccccc1C1=NOC(CC2(C(=O)NCCn3nc(C)cc3C)CCOCC2)C1
InChIInChI=1S/C24H32N4O4/c1-17-14-18(2)28(26-17)11-10-25-23(29)24(8-12-31-13-9-24)16-19-15-21(27-32-19)20-6-4-5-7-22(20)30-3/h4-7,14,19H,8-13,15-16H2,1-3H3,(H,25,29)
InChIKeyAFMCURJKZMPSDQ-UHFFFAOYSA-N
XLogP3.00
TPSA86.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]oxane-4-carboxamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]oxane-4-carboxamide (CID 110215427) is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]oxane-4-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]oxane-4-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]oxane-4-carboxamide is COc1ccccc1C1=NOC(CC2(C(=O)NCCn3nc(C)cc3C)CCOCC2)C1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]oxane-4-carboxamide?
The InChIKey is AFMCURJKZMPSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4/c1-17-14-18(2)28(26-17)11-10-25-23(29)24(8-12-31-13-9-24)16-19-15-21(27-32-19)20-6-4-5-7-22(20)30-3/h4-7,14,19H,8-13,15-16H2,1-3H3,(H,25,29).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]oxane-4-carboxamide?
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]oxane-4-carboxamide has a molecular weight of 440.54 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]oxane-4-carboxamide is sourced from PubChem (CID 110215427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).