(2S,3S)-N-(2-acetamidoethyl)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methyloxolane-3-carboxamide

C16H26N4O4 — CID 138002359

IUPAC(2S,3S)-N-(2-acetamidoethyl)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methyloxolane-3-carboxamide
SMILESCOCCn1cc([C@H]2OCC[C@@H]2C(=O)N(C)CCNC(C)=O)cn1
InChIInChI=1S/C16H26N4O4/c1-12(21)17-5-6-19(2)16(22)14-4-8-24-15(14)13-10-18-20(11-13)7-9-23-3/h10-11,14-15H,4-9H2,1-3H3,(H,17,21)/t14-,15+/m0/s1
InChIKeyXAIWIXVKTDGDPE-LSDHHAIUSA-N
MW338.41 g/mol
LogP0.20
Rot. Bonds8

About (2S,3S)-N-(2-acetamidoethyl)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methyloxolane-3-carboxamide

(2S,3S)-N-(2-acetamidoethyl)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methyloxolane-3-carboxamide (PubChem CID 138002359) has the molecular formula C16H26N4O4 and a molecular weight of 338.41 g/mol. Its IUPAC name is (2S,3S)-N-(2-acetamidoethyl)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-(2-acetamidoethyl)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methyloxolane-3-carboxamide
PubChem CID138002359
Molecular FormulaC16H26N4O4
Molecular Weight338.41 g/mol
Exact Mass338.20
IUPAC Name(2S,3S)-N-(2-acetamidoethyl)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methyloxolane-3-carboxamide
SMILESCOCCn1cc([C@H]2OCC[C@@H]2C(=O)N(C)CCNC(C)=O)cn1
InChIInChI=1S/C16H26N4O4/c1-12(21)17-5-6-19(2)16(22)14-4-8-24-15(14)13-10-18-20(11-13)7-9-23-3/h10-11,14-15H,4-9H2,1-3H3,(H,17,21)/t14-,15+/m0/s1
InChIKeyXAIWIXVKTDGDPE-LSDHHAIUSA-N
XLogP0.20
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methyl-N-(2-phenylethyl)oxolane-3-carboxamide
CID 128970695
(2S,3S)-N-(2-ethoxyethyl)-2-(1-ethylpyrazol-4-yl)-N-methyloxolane-3-carboxamide
CID 129005878
(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-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]oxolane-3-carboxamide
CID 128995423
(2S,3S)-N-(2-anilino-2-oxoethyl)-2-(1-benzylpyrazol-4-yl)-N-methyloxolane-3-carboxamide
CID 128965826
(2S,3S)-N-[(2-fluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide
CID 129005523
(2S,3S)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxamide
CID 128997299
(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxylic acid
CID 124681119
(2R,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]oxolan-3-amine
CID 167823864
(2S,3S)-N-methyl-2-(1-propan-2-ylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)oxolane-3-carboxamide
CID 128968659
(2S,3S)-2-(1-ethylpyrazol-4-yl)-N-(4-hydroxy-1-methoxybutan-2-yl)oxolane-3-carboxamide
CID 128995570

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-(2-acetamidoethyl)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methyloxolane-3-carboxamide?
The IUPAC name of (2S,3S)-N-(2-acetamidoethyl)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methyloxolane-3-carboxamide (CID 138002359) is (2S,3S)-N-(2-acetamidoethyl)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methyloxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-(2-acetamidoethyl)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methyloxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-N-(2-acetamidoethyl)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methyloxolane-3-carboxamide is COCCn1cc([C@H]2OCC[C@@H]2C(=O)N(C)CCNC(C)=O)cn1.
What is the InChIKey of (2S,3S)-N-(2-acetamidoethyl)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methyloxolane-3-carboxamide?
The InChIKey is XAIWIXVKTDGDPE-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H26N4O4/c1-12(21)17-5-6-19(2)16(22)14-4-8-24-15(14)13-10-18-20(11-13)7-9-23-3/h10-11,14-15H,4-9H2,1-3H3,(H,17,21)/t14-,15+/m0/s1.
What are the key properties of (2S,3S)-N-(2-acetamidoethyl)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methyloxolane-3-carboxamide?
(2S,3S)-N-(2-acetamidoethyl)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methyloxolane-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 0.20, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-(2-acetamidoethyl)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methyloxolane-3-carboxamide is sourced from PubChem (CID 138002359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).