(2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]oxolane-3-carboxamide

C21H25N5O4 — CID 128995423

IUPAC(2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]oxolane-3-carboxamide
SMILESCOCCn1cc([C@H]2OCC[C@@H]2C(=O)NCc2ccc(-c3nc(C)no3)cc2)cn1
InChIInChI=1S/C21H25N5O4/c1-14-24-21(30-25-14)16-5-3-15(4-6-16)11-22-20(27)18-7-9-29-19(18)17-12-23-26(13-17)8-10-28-2/h3-6,12-13,18-19H,7-11H2,1-2H3,(H,22,27)/t18-,19+/m0/s1
InChIKeyTYVBXIBCLITCJP-RBUKOAKNSA-N
MW411.46 g/mol
LogP2.28
Rot. Bonds8

About (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]oxolane-3-carboxamide

(2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]oxolane-3-carboxamide (PubChem CID 128995423) has the molecular formula C21H25N5O4 and a molecular weight of 411.46 g/mol. Its IUPAC name is (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]oxolane-3-carboxamide
PubChem CID128995423
Molecular FormulaC21H25N5O4
Molecular Weight411.46 g/mol
Exact Mass411.19
IUPAC Name(2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]oxolane-3-carboxamide
SMILESCOCCn1cc([C@H]2OCC[C@@H]2C(=O)NCc2ccc(-c3nc(C)no3)cc2)cn1
InChIInChI=1S/C21H25N5O4/c1-14-24-21(30-25-14)16-5-3-15(4-6-16)11-22-20(27)18-7-9-29-19(18)17-12-23-26(13-17)8-10-28-2/h3-6,12-13,18-19H,7-11H2,1-2H3,(H,22,27)/t18-,19+/m0/s1
InChIKeyTYVBXIBCLITCJP-RBUKOAKNSA-N
XLogP2.28
TPSA104.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(6-methoxy-3-pyridinyl)methyl]oxolane-3-carboxamide
CID 128965082
(2S,3S)-N-[(2S)-2-(1,3-benzothiazol-2-yl)propyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolane-3-carboxamide
CID 129323561
(2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methyl-N-(2-phenylethyl)oxolane-3-carboxamide
CID 128970695
(2S,3S)-N-(2-acetamidoethyl)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methyloxolane-3-carboxamide
CID 138002359
(2S,3S)-2-(1-ethylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide
CID 129005643
(2R,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]oxolan-3-amine
CID 167823864
(2S,3S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide
CID 129005917
(2S,3S)-2-(1-ethylpyrazol-4-yl)-N-(4-hydroxy-1-methoxybutan-2-yl)oxolane-3-carboxamide
CID 128995570
(2S,3S)-2-(1-methylpyrazol-4-yl)-N-(2-thiophen-2-ylethyl)oxolane-3-carboxamide
CID 129003529
(2S,3S)-N-(6-methoxy-2-methyl-3-pyridinyl)-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide
CID 128973421
(2S,3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[2-(3-methoxypropyl)pyrazol-3-yl]oxolane-3-carboxamide
CID 128974294
N-[(4-methoxyphenyl)methyl]-5-methyl-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide
CID 53179095

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]oxolane-3-carboxamide (CID 128995423) is (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]oxolane-3-carboxamide is COCCn1cc([C@H]2OCC[C@@H]2C(=O)NCc2ccc(-c3nc(C)no3)cc2)cn1.
What is the InChIKey of (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]oxolane-3-carboxamide?
The InChIKey is TYVBXIBCLITCJP-RBUKOAKNSA-N. The full InChI is InChI=1S/C21H25N5O4/c1-14-24-21(30-25-14)16-5-3-15(4-6-16)11-22-20(27)18-7-9-29-19(18)17-12-23-26(13-17)8-10-28-2/h3-6,12-13,18-19H,7-11H2,1-2H3,(H,22,27)/t18-,19+/m0/s1.
What are the key properties of (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]oxolane-3-carboxamide?
(2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]oxolane-3-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]oxolane-3-carboxamide is sourced from PubChem (CID 128995423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).