(2S,3S)-N-[3-(tert-butylcarbamoyl)phenyl]-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide

C22H30N4O3 — CID 128972997

IUPAC(2S,3S)-N-[3-(tert-butylcarbamoyl)phenyl]-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide
SMILESCC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1
InChIInChI=1S/C22H30N4O3/c1-14(2)26-18(9-11-23-26)19-17(10-12-29-19)21(28)24-16-8-6-7-15(13-16)20(27)25-22(3,4)5/h6-9,11,13-14,17,19H,10,12H2,1-5H3,(H,24,28)(H,25,27)/t17-,19-/m0/s1
InChIKeyNUQOZUHQCZEOQY-HKUYNNGSSA-N
MW398.51 g/mol
LogP3.71
Rot. Bonds5

About (2S,3S)-N-[3-(tert-butylcarbamoyl)phenyl]-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide

(2S,3S)-N-[3-(tert-butylcarbamoyl)phenyl]-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide (PubChem CID 128972997) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is (2S,3S)-N-[3-(tert-butylcarbamoyl)phenyl]-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-[3-(tert-butylcarbamoyl)phenyl]-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide
PubChem CID128972997
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name(2S,3S)-N-[3-(tert-butylcarbamoyl)phenyl]-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide
SMILESCC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1
InChIInChI=1S/C22H30N4O3/c1-14(2)26-18(9-11-23-26)19-17(10-12-29-19)21(28)24-16-8-6-7-15(13-16)20(27)25-22(3,4)5/h6-9,11,13-14,17,19H,10,12H2,1-5H3,(H,24,28)(H,25,27)/t17-,19-/m0/s1
InChIKeyNUQOZUHQCZEOQY-HKUYNNGSSA-N
XLogP3.71
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)oxolane-3-carboxamide
CID 128970506
1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 28639774
(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]oxolane-3-carboxamide
CID 129325296
N-[3-[[(2R,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carbonyl]amino]phenyl]pyridine-4-carboxamide
CID 166342281
(1S,6R)-6-[[3-(tert-butylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 94599038
3-[[(2R,3R)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]carbamoyl]benzenesulfonyl fluoride
CID 138029628
(2S,3S)-N-[[5-(1-hydroxyethyl)-6-methyl-2-pyridinyl]methyl]-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide
CID 128982480
N-[3-(tert-butylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119283628
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(cyclopropanecarbonylamino)benzamide
CID 119607471
N-[3-(tert-butylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 119283635
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(cyclopropanecarbonylamino)benzamide;hydrochloride
CID 119607470
1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 28639773

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[3-(tert-butylcarbamoyl)phenyl]-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-N-[3-(tert-butylcarbamoyl)phenyl]-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide (CID 128972997) is (2S,3S)-N-[3-(tert-butylcarbamoyl)phenyl]-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-[3-(tert-butylcarbamoyl)phenyl]-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-N-[3-(tert-butylcarbamoyl)phenyl]-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide is CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1.
What is the InChIKey of (2S,3S)-N-[3-(tert-butylcarbamoyl)phenyl]-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide?
The InChIKey is NUQOZUHQCZEOQY-HKUYNNGSSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-14(2)26-18(9-11-23-26)19-17(10-12-29-19)21(28)24-16-8-6-7-15(13-16)20(27)25-22(3,4)5/h6-9,11,13-14,17,19H,10,12H2,1-5H3,(H,24,28)(H,25,27)/t17-,19-/m0/s1.
What are the key properties of (2S,3S)-N-[3-(tert-butylcarbamoyl)phenyl]-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide?
(2S,3S)-N-[3-(tert-butylcarbamoyl)phenyl]-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[3-(tert-butylcarbamoyl)phenyl]-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide is sourced from PubChem (CID 128972997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).