N-[(4R,5S)-2-ethyl-5-phenyl-1,2-oxazolidin-4-yl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide

C27H30N6O2 — CID 157131049

IUPACN-[(4R,5S)-2-ethyl-5-phenyl-1,2-oxazolidin-4-yl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide
SMILESCCN1C[C@@H](NC(=O)Cc2c(C)c(-c3cnn(C)c3)nn2-c2ccccc2)[C@H](c2ccccc2)O1
InChIInChI=1S/C27H30N6O2/c1-4-32-18-23(27(35-32)20-11-7-5-8-12-20)29-25(34)15-24-19(2)26(21-16-28-31(3)17-21)30-33(24)22-13-9-6-10-14-22/h5-14,16-17,23,27H,4,15,18H2,1-3H3,(H,29,34)/t23-,27+/m1/s1
InChIKeyAJBPYOVVBVUNJX-KCWPFWIISA-N
MW470.58 g/mol
LogP3.62
Rot. Bonds7

About N-[(4R,5S)-2-ethyl-5-phenyl-1,2-oxazolidin-4-yl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide

N-[(4R,5S)-2-ethyl-5-phenyl-1,2-oxazolidin-4-yl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide (PubChem CID 157131049) has the molecular formula C27H30N6O2 and a molecular weight of 470.58 g/mol. Its IUPAC name is N-[(4R,5S)-2-ethyl-5-phenyl-1,2-oxazolidin-4-yl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[(4R,5S)-2-ethyl-5-phenyl-1,2-oxazolidin-4-yl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide
PubChem CID157131049
Molecular FormulaC27H30N6O2
Molecular Weight470.58 g/mol
Exact Mass470.24
IUPAC NameN-[(4R,5S)-2-ethyl-5-phenyl-1,2-oxazolidin-4-yl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide
SMILESCCN1C[C@@H](NC(=O)Cc2c(C)c(-c3cnn(C)c3)nn2-c2ccccc2)[C@H](c2ccccc2)O1
InChIInChI=1S/C27H30N6O2/c1-4-32-18-23(27(35-32)20-11-7-5-8-12-20)29-25(34)15-24-19(2)26(21-16-28-31(3)17-21)30-33(24)22-13-9-6-10-14-22/h5-14,16-17,23,27H,4,15,18H2,1-3H3,(H,29,34)/t23-,27+/m1/s1
InChIKeyAJBPYOVVBVUNJX-KCWPFWIISA-N
XLogP3.62
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.58
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(4R,5S)-2-ethyl-5-phenyl-1,2-oxazolidin-4-yl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4R,5S)-2-ethyl-5-phenyl-1,2-oxazolidin-4-yl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide?
The IUPAC name of N-[(4R,5S)-2-ethyl-5-phenyl-1,2-oxazolidin-4-yl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide (CID 157131049) is N-[(4R,5S)-2-ethyl-5-phenyl-1,2-oxazolidin-4-yl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide.
What is the SMILES notation for N-[(4R,5S)-2-ethyl-5-phenyl-1,2-oxazolidin-4-yl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide?
The canonical SMILES for N-[(4R,5S)-2-ethyl-5-phenyl-1,2-oxazolidin-4-yl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide is CCN1C[C@@H](NC(=O)Cc2c(C)c(-c3cnn(C)c3)nn2-c2ccccc2)[C@H](c2ccccc2)O1.
What is the InChIKey of N-[(4R,5S)-2-ethyl-5-phenyl-1,2-oxazolidin-4-yl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide?
The InChIKey is AJBPYOVVBVUNJX-KCWPFWIISA-N. The full InChI is InChI=1S/C27H30N6O2/c1-4-32-18-23(27(35-32)20-11-7-5-8-12-20)29-25(34)15-24-19(2)26(21-16-28-31(3)17-21)30-33(24)22-13-9-6-10-14-22/h5-14,16-17,23,27H,4,15,18H2,1-3H3,(H,29,34)/t23-,27+/m1/s1.
What are the key properties of N-[(4R,5S)-2-ethyl-5-phenyl-1,2-oxazolidin-4-yl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide?
N-[(4R,5S)-2-ethyl-5-phenyl-1,2-oxazolidin-4-yl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide has a molecular weight of 470.58 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R,5S)-2-ethyl-5-phenyl-1,2-oxazolidin-4-yl]-2-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]acetamide is sourced from PubChem (CID 157131049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).