(2R)-N-[3-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]carbamoyl]phenyl]oxolane-2-carboxamide

C21H28N4O3 — CID 51953886

IUPAC(2R)-N-[3-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]carbamoyl]phenyl]oxolane-2-carboxamide
SMILESCc1cc(C)n(C[C@H](C)CNC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)n1
InChIInChI=1S/C21H28N4O3/c1-14(13-25-16(3)10-15(2)24-25)12-22-20(26)17-6-4-7-18(11-17)23-21(27)19-8-5-9-28-19/h4,6-7,10-11,14,19H,5,8-9,12-13H2,1-3H3,(H,22,26)(H,23,27)/t14-,19-/m1/s1
InChIKeyCHLRWPKAAWENLY-AUUYWEPGSA-N
MW384.48 g/mol
LogP2.68
Rot. Bonds7

About (2R)-N-[3-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]carbamoyl]phenyl]oxolane-2-carboxamide

(2R)-N-[3-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]carbamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 51953886) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is (2R)-N-[3-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]carbamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]carbamoyl]phenyl]oxolane-2-carboxamide
PubChem CID51953886
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name(2R)-N-[3-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]carbamoyl]phenyl]oxolane-2-carboxamide
SMILESCc1cc(C)n(C[C@H](C)CNC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)n1
InChIInChI=1S/C21H28N4O3/c1-14(13-25-16(3)10-15(2)24-25)12-22-20(26)17-6-4-7-18(11-17)23-21(27)19-8-5-9-28-19/h4,6-7,10-11,14,19H,5,8-9,12-13H2,1-3H3,(H,22,26)(H,23,27)/t14-,19-/m1/s1
InChIKeyCHLRWPKAAWENLY-AUUYWEPGSA-N
XLogP2.68
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[3-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]carbamoyl]phenyl]oxolane-2-carboxamide with MolForge

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Related Compounds

4-(cyclopropanecarbonylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]benzamide
CID 55783643
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 51953800
N-[3-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]carbamoyl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 119527172
N-[3-[2-(methylamino)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 119504077
N-[3-(2-hydroxyethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 78845452
3-(cyclopropylsulfamoyl)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]benzamide
CID 51953853
N-[3-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 55948043
N-[3-(benzylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 2971215
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 51953782
N-[3-(2-cyclopentylethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 42884229
N-[3-[[2-(3-bromophenyl)-5-methylpyrazol-3-yl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 43068263
N-[3-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 119643641

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]carbamoyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[3-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]carbamoyl]phenyl]oxolane-2-carboxamide (CID 51953886) is (2R)-N-[3-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]carbamoyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[3-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]carbamoyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[3-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]carbamoyl]phenyl]oxolane-2-carboxamide is Cc1cc(C)n(C[C@H](C)CNC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)n1.
What is the InChIKey of (2R)-N-[3-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]carbamoyl]phenyl]oxolane-2-carboxamide?
The InChIKey is CHLRWPKAAWENLY-AUUYWEPGSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-14(13-25-16(3)10-15(2)24-25)12-22-20(26)17-6-4-7-18(11-17)23-21(27)19-8-5-9-28-19/h4,6-7,10-11,14,19H,5,8-9,12-13H2,1-3H3,(H,22,26)(H,23,27)/t14-,19-/m1/s1.
What are the key properties of (2R)-N-[3-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]carbamoyl]phenyl]oxolane-2-carboxamide?
(2R)-N-[3-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]carbamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]carbamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 51953886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).