(2R,3R)-2-(2-methylpyrazol-3-yl)-N-[[(2R)-2-methylthiolan-2-yl]methyl]oxolane-3-carboxamide

C15H23N3O2S — CID 129335251

IUPAC(2R,3R)-2-(2-methylpyrazol-3-yl)-N-[[(2R)-2-methylthiolan-2-yl]methyl]oxolane-3-carboxamide
SMILESCn1nccc1[C@@H]1OCC[C@H]1C(=O)NC[C@@]1(C)CCCS1
InChIInChI=1S/C15H23N3O2S/c1-15(6-3-9-21-15)10-16-14(19)11-5-8-20-13(11)12-4-7-17-18(12)2/h4,7,11,13H,3,5-6,8-10H2,1-2H3,(H,16,19)/t11-,13-,15-/m1/s1
InChIKeyOVOOMOJKBCOFAZ-UXIGCNINSA-N
MW309.44 g/mol
LogP1.90
Rot. Bonds4

About (2R,3R)-2-(2-methylpyrazol-3-yl)-N-[[(2R)-2-methylthiolan-2-yl]methyl]oxolane-3-carboxamide

(2R,3R)-2-(2-methylpyrazol-3-yl)-N-[[(2R)-2-methylthiolan-2-yl]methyl]oxolane-3-carboxamide (PubChem CID 129335251) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is (2R,3R)-2-(2-methylpyrazol-3-yl)-N-[[(2R)-2-methylthiolan-2-yl]methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-2-(2-methylpyrazol-3-yl)-N-[[(2R)-2-methylthiolan-2-yl]methyl]oxolane-3-carboxamide
PubChem CID129335251
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name(2R,3R)-2-(2-methylpyrazol-3-yl)-N-[[(2R)-2-methylthiolan-2-yl]methyl]oxolane-3-carboxamide
SMILESCn1nccc1[C@@H]1OCC[C@H]1C(=O)NC[C@@]1(C)CCCS1
InChIInChI=1S/C15H23N3O2S/c1-15(6-3-9-21-15)10-16-14(19)11-5-8-20-13(11)12-4-7-17-18(12)2/h4,7,11,13H,3,5-6,8-10H2,1-2H3,(H,16,19)/t11-,13-,15-/m1/s1
InChIKeyOVOOMOJKBCOFAZ-UXIGCNINSA-N
XLogP1.90
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R)-2-(2-methylpyrazol-3-yl)-N-(thiolan-2-ylmethyl)oxolane-3-carboxamide
CID 129000954
(2R,3R)-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide
CID 128973125
(2R,3R)-2-(2-methylpyrazol-3-yl)-N-[(5-methyl-3-pyridinyl)methyl]oxolane-3-carboxamide
CID 128966406
(2R,3R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide
CID 129000051
(2R,3R)-N-(2-ethylpyrimidin-5-yl)-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide
CID 129001573
(2R,3R)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide
CID 128975623
2-amino-N-[(2-methylthiolan-2-yl)methyl]cycloheptane-1-carboxamide
CID 80736958
N-[(2-methylthiolan-2-yl)methyl]cyclopropanecarboxamide
CID 80528490
4-amino-N-[(2-methylthiolan-2-yl)methyl]oxolane-3-carboxamide
CID 80738360
(2R,3R)-N-(1-methylpyrazol-4-yl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide
CID 154738421
1-[[(2R)-2-methylthiolan-2-yl]methyl]-3-[(2R,4R)-2-phenyloxan-4-yl]urea
CID 98892090
(2R,3R)-N-(2-ethylpyrimidin-5-yl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide
CID 128985765

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(2-methylpyrazol-3-yl)-N-[[(2R)-2-methylthiolan-2-yl]methyl]oxolane-3-carboxamide?
The IUPAC name of (2R,3R)-2-(2-methylpyrazol-3-yl)-N-[[(2R)-2-methylthiolan-2-yl]methyl]oxolane-3-carboxamide (CID 129335251) is (2R,3R)-2-(2-methylpyrazol-3-yl)-N-[[(2R)-2-methylthiolan-2-yl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for (2R,3R)-2-(2-methylpyrazol-3-yl)-N-[[(2R)-2-methylthiolan-2-yl]methyl]oxolane-3-carboxamide?
The canonical SMILES for (2R,3R)-2-(2-methylpyrazol-3-yl)-N-[[(2R)-2-methylthiolan-2-yl]methyl]oxolane-3-carboxamide is Cn1nccc1[C@@H]1OCC[C@H]1C(=O)NC[C@@]1(C)CCCS1.
What is the InChIKey of (2R,3R)-2-(2-methylpyrazol-3-yl)-N-[[(2R)-2-methylthiolan-2-yl]methyl]oxolane-3-carboxamide?
The InChIKey is OVOOMOJKBCOFAZ-UXIGCNINSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-15(6-3-9-21-15)10-16-14(19)11-5-8-20-13(11)12-4-7-17-18(12)2/h4,7,11,13H,3,5-6,8-10H2,1-2H3,(H,16,19)/t11-,13-,15-/m1/s1.
What are the key properties of (2R,3R)-2-(2-methylpyrazol-3-yl)-N-[[(2R)-2-methylthiolan-2-yl]methyl]oxolane-3-carboxamide?
(2R,3R)-2-(2-methylpyrazol-3-yl)-N-[[(2R)-2-methylthiolan-2-yl]methyl]oxolane-3-carboxamide has a molecular weight of 309.44 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(2-methylpyrazol-3-yl)-N-[[(2R)-2-methylthiolan-2-yl]methyl]oxolane-3-carboxamide is sourced from PubChem (CID 129335251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).