(2S,3S)-2-(1-ethylpyrazol-4-yl)-N-(4-hydroxy-1-methoxybutan-2-yl)oxolane-3-carboxamide

C15H25N3O4 — CID 128995570

IUPAC(2S,3S)-2-(1-ethylpyrazol-4-yl)-N-(4-hydroxy-1-methoxybutan-2-yl)oxolane-3-carboxamide
SMILESCCn1cc([C@H]2OCC[C@@H]2C(=O)NC(CCO)COC)cn1
InChIInChI=1S/C15H25N3O4/c1-3-18-9-11(8-16-18)14-13(5-7-22-14)15(20)17-12(4-6-19)10-21-2/h8-9,12-14,19H,3-7,10H2,1-2H3,(H,17,20)/t12?,13-,14+/m0/s1
InChIKeyQHMOIHKRQJCCPD-KFTPUPIBSA-N
MW311.38 g/mol
LogP0.49
Rot. Bonds8

About (2S,3S)-2-(1-ethylpyrazol-4-yl)-N-(4-hydroxy-1-methoxybutan-2-yl)oxolane-3-carboxamide

(2S,3S)-2-(1-ethylpyrazol-4-yl)-N-(4-hydroxy-1-methoxybutan-2-yl)oxolane-3-carboxamide (PubChem CID 128995570) has the molecular formula C15H25N3O4 and a molecular weight of 311.38 g/mol. Its IUPAC name is (2S,3S)-2-(1-ethylpyrazol-4-yl)-N-(4-hydroxy-1-methoxybutan-2-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-2-(1-ethylpyrazol-4-yl)-N-(4-hydroxy-1-methoxybutan-2-yl)oxolane-3-carboxamide
PubChem CID128995570
Molecular FormulaC15H25N3O4
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Name(2S,3S)-2-(1-ethylpyrazol-4-yl)-N-(4-hydroxy-1-methoxybutan-2-yl)oxolane-3-carboxamide
SMILESCCn1cc([C@H]2OCC[C@@H]2C(=O)NC(CCO)COC)cn1
InChIInChI=1S/C15H25N3O4/c1-3-18-9-11(8-16-18)14-13(5-7-22-14)15(20)17-12(4-6-19)10-21-2/h8-9,12-14,19H,3-7,10H2,1-2H3,(H,17,20)/t12?,13-,14+/m0/s1
InChIKeyQHMOIHKRQJCCPD-KFTPUPIBSA-N
XLogP0.49
TPSA85.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxylic acid
CID 124681119
(2S,3S)-2-(1-ethylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide
CID 129005643
(2S,3S)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxamide
CID 128997299
[(3aR,4R,7S,7aS)-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindol-2-yl]-[(2R,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methanone
CID 155955008
(2S,3S)-2-(1-ethylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)oxolane-3-carboxamide
CID 128996390
(2S,3S)-N-(2-ethoxyethyl)-2-(1-ethylpyrazol-4-yl)-N-methyloxolane-3-carboxamide
CID 129005878
(2S,5R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-5-methyloxolane-2-carboxamide
CID 129341858
N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-2-propan-2-yloxyethanesulfonamide
CID 129002936
(2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(6-methoxy-3-pyridinyl)methyl]oxolane-3-carboxamide
CID 128965082
2-(1-ethylpyrazol-4-yl)oxolan-3-amine
CID 103848592
(2R,3R)-2-(1-ethylpyrazol-4-yl)-N-[(1-ethylsulfanylcyclopropyl)methyl]oxane-3-carboxamide
CID 136584080
(2R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-6-oxaspiro[2.5]octane-2-carboxamide
CID 129336877

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(1-ethylpyrazol-4-yl)-N-(4-hydroxy-1-methoxybutan-2-yl)oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-2-(1-ethylpyrazol-4-yl)-N-(4-hydroxy-1-methoxybutan-2-yl)oxolane-3-carboxamide (CID 128995570) is (2S,3S)-2-(1-ethylpyrazol-4-yl)-N-(4-hydroxy-1-methoxybutan-2-yl)oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-2-(1-ethylpyrazol-4-yl)-N-(4-hydroxy-1-methoxybutan-2-yl)oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-2-(1-ethylpyrazol-4-yl)-N-(4-hydroxy-1-methoxybutan-2-yl)oxolane-3-carboxamide is CCn1cc([C@H]2OCC[C@@H]2C(=O)NC(CCO)COC)cn1.
What is the InChIKey of (2S,3S)-2-(1-ethylpyrazol-4-yl)-N-(4-hydroxy-1-methoxybutan-2-yl)oxolane-3-carboxamide?
The InChIKey is QHMOIHKRQJCCPD-KFTPUPIBSA-N. The full InChI is InChI=1S/C15H25N3O4/c1-3-18-9-11(8-16-18)14-13(5-7-22-14)15(20)17-12(4-6-19)10-21-2/h8-9,12-14,19H,3-7,10H2,1-2H3,(H,17,20)/t12?,13-,14+/m0/s1.
What are the key properties of (2S,3S)-2-(1-ethylpyrazol-4-yl)-N-(4-hydroxy-1-methoxybutan-2-yl)oxolane-3-carboxamide?
(2S,3S)-2-(1-ethylpyrazol-4-yl)-N-(4-hydroxy-1-methoxybutan-2-yl)oxolane-3-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 0.49, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(1-ethylpyrazol-4-yl)-N-(4-hydroxy-1-methoxybutan-2-yl)oxolane-3-carboxamide is sourced from PubChem (CID 128995570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).