(2S,3R)-N-[(4-methoxyphenyl)methyl]-3-methyl-N-(1,3-thiazol-2-yl)oxolane-2-carboxamide

C17H20N2O3S — CID 97235832

IUPAC(2S,3R)-N-[(4-methoxyphenyl)methyl]-3-methyl-N-(1,3-thiazol-2-yl)oxolane-2-carboxamide
SMILESCOc1ccc(CN(C(=O)[C@H]2OCC[C@H]2C)c2nccs2)cc1
InChIInChI=1S/C17H20N2O3S/c1-12-7-9-22-15(12)16(20)19(17-18-8-10-23-17)11-13-3-5-14(21-2)6-4-13/h3-6,8,10,12,15H,7,9,11H2,1-2H3/t12-,15+/m1/s1
InChIKeyNEQXJNSWRNIWAO-DOMZBBRYSA-N
MW332.43 g/mol
LogP3.11
Rot. Bonds5

About (2S,3R)-N-[(4-methoxyphenyl)methyl]-3-methyl-N-(1,3-thiazol-2-yl)oxolane-2-carboxamide

(2S,3R)-N-[(4-methoxyphenyl)methyl]-3-methyl-N-(1,3-thiazol-2-yl)oxolane-2-carboxamide (PubChem CID 97235832) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is (2S,3R)-N-[(4-methoxyphenyl)methyl]-3-methyl-N-(1,3-thiazol-2-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-[(4-methoxyphenyl)methyl]-3-methyl-N-(1,3-thiazol-2-yl)oxolane-2-carboxamide
PubChem CID97235832
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name(2S,3R)-N-[(4-methoxyphenyl)methyl]-3-methyl-N-(1,3-thiazol-2-yl)oxolane-2-carboxamide
SMILESCOc1ccc(CN(C(=O)[C@H]2OCC[C@H]2C)c2nccs2)cc1
InChIInChI=1S/C17H20N2O3S/c1-12-7-9-22-15(12)16(20)19(17-18-8-10-23-17)11-13-3-5-14(21-2)6-4-13/h3-6,8,10,12,15H,7,9,11H2,1-2H3/t12-,15+/m1/s1
InChIKeyNEQXJNSWRNIWAO-DOMZBBRYSA-N
XLogP3.11
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1S,2R)-N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 96523719
(2S,4S)-N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 120637099
(2S,5R)-5-(aminomethyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)oxolane-2-carboxamide;hydrochloride
CID 120795485
(4-bromo-1,3-thiazol-2-yl)-[(4-methoxyphenyl)methyl]carbamic acid
CID 146190066
2-[(4-ethoxyphenyl)methyl-(oxolane-2-carbonyl)amino]-1,3-thiazole-4-carboxylic acid
CID 166597130
2-(4-methoxyphenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 110715683
[5-chloro-2-(2,3-dimethylmorpholin-4-yl)-4-pyridinyl]-[(4-methoxyphenyl)methyl]carbamic acid
CID 139392909
methyl 3-[[methyl(1,3-thiazol-2-yl)amino]methyl]thiophene-2-carboxylate
CID 167880953
N-benzyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 1138529
(4-methoxyphenyl)methyl-[4-(6-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-yl]carbamic acid
CID 146197537
2-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 770967
N-ethyl-N-[(4-methoxyphenyl)methyl]oxane-4-carboxamide
CID 52572788

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-[(4-methoxyphenyl)methyl]-3-methyl-N-(1,3-thiazol-2-yl)oxolane-2-carboxamide?
The IUPAC name of (2S,3R)-N-[(4-methoxyphenyl)methyl]-3-methyl-N-(1,3-thiazol-2-yl)oxolane-2-carboxamide (CID 97235832) is (2S,3R)-N-[(4-methoxyphenyl)methyl]-3-methyl-N-(1,3-thiazol-2-yl)oxolane-2-carboxamide.
What is the SMILES notation for (2S,3R)-N-[(4-methoxyphenyl)methyl]-3-methyl-N-(1,3-thiazol-2-yl)oxolane-2-carboxamide?
The canonical SMILES for (2S,3R)-N-[(4-methoxyphenyl)methyl]-3-methyl-N-(1,3-thiazol-2-yl)oxolane-2-carboxamide is COc1ccc(CN(C(=O)[C@H]2OCC[C@H]2C)c2nccs2)cc1.
What is the InChIKey of (2S,3R)-N-[(4-methoxyphenyl)methyl]-3-methyl-N-(1,3-thiazol-2-yl)oxolane-2-carboxamide?
The InChIKey is NEQXJNSWRNIWAO-DOMZBBRYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-12-7-9-22-15(12)16(20)19(17-18-8-10-23-17)11-13-3-5-14(21-2)6-4-13/h3-6,8,10,12,15H,7,9,11H2,1-2H3/t12-,15+/m1/s1.
What are the key properties of (2S,3R)-N-[(4-methoxyphenyl)methyl]-3-methyl-N-(1,3-thiazol-2-yl)oxolane-2-carboxamide?
(2S,3R)-N-[(4-methoxyphenyl)methyl]-3-methyl-N-(1,3-thiazol-2-yl)oxolane-2-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-[(4-methoxyphenyl)methyl]-3-methyl-N-(1,3-thiazol-2-yl)oxolane-2-carboxamide is sourced from PubChem (CID 97235832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).