(2S,3S)-N-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-(1-phenylpyrazol-4-yl)oxolane-3-carboxamide

C22H27N5O2 — CID 129323627

IUPAC(2S,3S)-N-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-(1-phenylpyrazol-4-yl)oxolane-3-carboxamide
SMILESCc1nccn1C[C@H](C)CNC(=O)[C@H]1CCO[C@@H]1c1cnn(-c2ccccc2)c1
InChIInChI=1S/C22H27N5O2/c1-16(14-26-10-9-23-17(26)2)12-24-22(28)20-8-11-29-21(20)18-13-25-27(15-18)19-6-4-3-5-7-19/h3-7,9-10,13,15-16,20-21H,8,11-12,14H2,1-2H3,(H,24,28)/t16-,20+,21-/m1/s1
InChIKeyCRFURPJLCNSCND-TYCQWZJGSA-N
MW393.49 g/mol
LogP2.91
Rot. Bonds7

About (2S,3S)-N-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-(1-phenylpyrazol-4-yl)oxolane-3-carboxamide

(2S,3S)-N-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-(1-phenylpyrazol-4-yl)oxolane-3-carboxamide (PubChem CID 129323627) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is (2S,3S)-N-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-(1-phenylpyrazol-4-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-(1-phenylpyrazol-4-yl)oxolane-3-carboxamide
PubChem CID129323627
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name(2S,3S)-N-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-(1-phenylpyrazol-4-yl)oxolane-3-carboxamide
SMILESCc1nccn1C[C@H](C)CNC(=O)[C@H]1CCO[C@@H]1c1cnn(-c2ccccc2)c1
InChIInChI=1S/C22H27N5O2/c1-16(14-26-10-9-23-17(26)2)12-24-22(28)20-8-11-29-21(20)18-13-25-27(15-18)19-6-4-3-5-7-19/h3-7,9-10,13,15-16,20-21H,8,11-12,14H2,1-2H3,(H,24,28)/t16-,20+,21-/m1/s1
InChIKeyCRFURPJLCNSCND-TYCQWZJGSA-N
XLogP2.91
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3S)-N-(4-methyl-1,3-thiazol-2-yl)-2-(1-phenylpyrazol-4-yl)oxolane-3-carboxamide
CID 128967401
(2S,3S)-N-(1-methyl-6-oxo-3-pyridinyl)-2-(1-phenylpyrazol-4-yl)oxolane-3-carboxamide
CID 128966167
N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3,3-diphenylpropanamide
CID 60559095
(2S,3S)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(1-phenylpyrazol-4-yl)oxolane-3-carboxamide
CID 128966174
N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-phenylprop-2-enamide
CID 76868468
N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 95278903
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
CID 111435084
(2S,3S)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-(1-phenylpyrazol-4-yl)oxolane-3-carboxamide
CID 128966138
(2R,3R)-2-(1-propan-2-ylpyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)oxolane-3-carboxamide
CID 166324188
2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]propanamide
CID 119857841
(2R,3R)-N-[(3,5-dimethyl-2-pyridinyl)methyl]-2-phenyloxolane-3-carboxamide
CID 136586841
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
CID 111618731

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-(1-phenylpyrazol-4-yl)oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-N-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-(1-phenylpyrazol-4-yl)oxolane-3-carboxamide (CID 129323627) is (2S,3S)-N-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-(1-phenylpyrazol-4-yl)oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-(1-phenylpyrazol-4-yl)oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-N-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-(1-phenylpyrazol-4-yl)oxolane-3-carboxamide is Cc1nccn1C[C@H](C)CNC(=O)[C@H]1CCO[C@@H]1c1cnn(-c2ccccc2)c1.
What is the InChIKey of (2S,3S)-N-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-(1-phenylpyrazol-4-yl)oxolane-3-carboxamide?
The InChIKey is CRFURPJLCNSCND-TYCQWZJGSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-16(14-26-10-9-23-17(26)2)12-24-22(28)20-8-11-29-21(20)18-13-25-27(15-18)19-6-4-3-5-7-19/h3-7,9-10,13,15-16,20-21H,8,11-12,14H2,1-2H3,(H,24,28)/t16-,20+,21-/m1/s1.
What are the key properties of (2S,3S)-N-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-(1-phenylpyrazol-4-yl)oxolane-3-carboxamide?
(2S,3S)-N-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-(1-phenylpyrazol-4-yl)oxolane-3-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-(1-phenylpyrazol-4-yl)oxolane-3-carboxamide is sourced from PubChem (CID 129323627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).