(2S,6S)-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide

C17H23N3O3S — CID 100876796

IUPAC(2S,6S)-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide
SMILESCc1noc(C)c1[C@H](C)NC(=O)N1C[C@H](C)O[C@@H](c2ccsc2)C1
InChIInChI=1S/C17H23N3O3S/c1-10-7-20(8-15(22-10)14-5-6-24-9-14)17(21)18-11(2)16-12(3)19-23-13(16)4/h5-6,9-11,15H,7-8H2,1-4H3,(H,18,21)/t10-,11-,15+/m0/s1
InChIKeyGZEDPNSCASCQPP-ZIBATOQPSA-N
MW349.46 g/mol
LogP3.59
Rot. Bonds3

About (2S,6S)-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide

(2S,6S)-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide (PubChem CID 100876796) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is (2S,6S)-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S,6S)-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide
PubChem CID100876796
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name(2S,6S)-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide
SMILESCc1noc(C)c1[C@H](C)NC(=O)N1C[C@H](C)O[C@@H](c2ccsc2)C1
InChIInChI=1S/C17H23N3O3S/c1-10-7-20(8-15(22-10)14-5-6-24-9-14)17(21)18-11(2)16-12(3)19-23-13(16)4/h5-6,9-11,15H,7-8H2,1-4H3,(H,18,21)/t10-,11-,15+/m0/s1
InChIKeyGZEDPNSCASCQPP-ZIBATOQPSA-N
XLogP3.59
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,6S)-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide?
The IUPAC name of (2S,6S)-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide (CID 100876796) is (2S,6S)-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide.
What is the SMILES notation for (2S,6S)-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide?
The canonical SMILES for (2S,6S)-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide is Cc1noc(C)c1[C@H](C)NC(=O)N1C[C@H](C)O[C@@H](c2ccsc2)C1.
What is the InChIKey of (2S,6S)-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide?
The InChIKey is GZEDPNSCASCQPP-ZIBATOQPSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-10-7-20(8-15(22-10)14-5-6-24-9-14)17(21)18-11(2)16-12(3)19-23-13(16)4/h5-6,9-11,15H,7-8H2,1-4H3,(H,18,21)/t10-,11-,15+/m0/s1.
What are the key properties of (2S,6S)-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide?
(2S,6S)-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide is sourced from PubChem (CID 100876796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).