(2S,3S)-2-(1-benzylpyrazol-4-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]oxolane-3-carboxamide

C20H23N5O3 — CID 128994260

IUPAC(2S,3S)-2-(1-benzylpyrazol-4-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]oxolane-3-carboxamide
SMILESCc1noc(CCNC(=O)[C@H]2CCO[C@@H]2c2cnn(Cc3ccccc3)c2)n1
InChIInChI=1S/C20H23N5O3/c1-14-23-18(28-24-14)7-9-21-20(26)17-8-10-27-19(17)16-11-22-25(13-16)12-15-5-3-2-4-6-15/h2-6,11,13,17,19H,7-10,12H2,1H3,(H,21,26)/t17-,19+/m0/s1
InChIKeyDPEFESXAKFOSJO-PKOBYXMFSA-N
MW381.44 g/mol
LogP2.06
Rot. Bonds7

About (2S,3S)-2-(1-benzylpyrazol-4-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]oxolane-3-carboxamide

(2S,3S)-2-(1-benzylpyrazol-4-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]oxolane-3-carboxamide (PubChem CID 128994260) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is (2S,3S)-2-(1-benzylpyrazol-4-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-2-(1-benzylpyrazol-4-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]oxolane-3-carboxamide
PubChem CID128994260
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name(2S,3S)-2-(1-benzylpyrazol-4-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]oxolane-3-carboxamide
SMILESCc1noc(CCNC(=O)[C@H]2CCO[C@@H]2c2cnn(Cc3ccccc3)c2)n1
InChIInChI=1S/C20H23N5O3/c1-14-23-18(28-24-14)7-9-21-20(26)17-8-10-27-19(17)16-11-22-25(13-16)12-15-5-3-2-4-6-15/h2-6,11,13,17,19H,7-10,12H2,1H3,(H,21,26)/t17-,19+/m0/s1
InChIKeyDPEFESXAKFOSJO-PKOBYXMFSA-N
XLogP2.06
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(1-benzylpyrazol-4-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-2-(1-benzylpyrazol-4-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]oxolane-3-carboxamide (CID 128994260) is (2S,3S)-2-(1-benzylpyrazol-4-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-2-(1-benzylpyrazol-4-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-2-(1-benzylpyrazol-4-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]oxolane-3-carboxamide is Cc1noc(CCNC(=O)[C@H]2CCO[C@@H]2c2cnn(Cc3ccccc3)c2)n1.
What is the InChIKey of (2S,3S)-2-(1-benzylpyrazol-4-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]oxolane-3-carboxamide?
The InChIKey is DPEFESXAKFOSJO-PKOBYXMFSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-14-23-18(28-24-14)7-9-21-20(26)17-8-10-27-19(17)16-11-22-25(13-16)12-15-5-3-2-4-6-15/h2-6,11,13,17,19H,7-10,12H2,1H3,(H,21,26)/t17-,19+/m0/s1.
What are the key properties of (2S,3S)-2-(1-benzylpyrazol-4-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]oxolane-3-carboxamide?
(2S,3S)-2-(1-benzylpyrazol-4-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]oxolane-3-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(1-benzylpyrazol-4-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 128994260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).