N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]quinoxaline-2-carboxamide

C18H18N4O3S — CID 91789371

IUPACN-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]quinoxaline-2-carboxamide
SMILESO=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1cnc2ccccc2n1
InChIInChI=1S/C18H18N4O3S/c23-18(16-7-19-13-3-1-2-4-14(13)21-16)22-15-5-6-24-9-17(15)25-8-12-10-26-11-20-12/h1-4,7,10-11,15,17H,5-6,8-9H2,(H,22,23)/t15-,17-/m1/s1
InChIKeyKSAUMBUYNIFWHR-NVXWUHKLSA-N
MW370.43 g/mol
LogP2.19
Rot. Bonds5

About N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]quinoxaline-2-carboxamide

N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]quinoxaline-2-carboxamide (PubChem CID 91789371) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]quinoxaline-2-carboxamide
PubChem CID91789371
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC NameN-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]quinoxaline-2-carboxamide
SMILESO=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1cnc2ccccc2n1
InChIInChI=1S/C18H18N4O3S/c23-18(16-7-19-13-3-1-2-4-14(13)21-16)22-15-5-6-24-9-17(15)25-8-12-10-26-11-20-12/h1-4,7,10-11,15,17H,5-6,8-9H2,(H,22,23)/t15-,17-/m1/s1
InChIKeyKSAUMBUYNIFWHR-NVXWUHKLSA-N
XLogP2.19
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1,2-oxazole-3-carboxamide
CID 91772273
4-(hydroxymethyl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyridine-2-carboxamide
CID 91797119
N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1H-pyrrole-2-carboxamide
CID 91794482
N-[(3S,4R)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]quinoxalin-2-amine
CID 133266496
5-methyl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-2H-triazole-4-carboxamide
CID 91793986
3-amino-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1,2-thiazole-4-carboxamide
CID 91762940
4-chloro-2-hydroxy-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide
CID 91795550
N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1,3-benzodioxole-5-carboxamide
CID 91759736
4-cyano-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1H-pyrrole-2-carboxamide
CID 91765856
5-phenyl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyrazolidine-3-carboxamide
CID 133260614
2-(azepan-1-yl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide
CID 91781794
N-(3-phenylmethoxyoxan-4-yl)pyrazine-2-carboxamide
CID 156609821

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]quinoxaline-2-carboxamide?
The IUPAC name of N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]quinoxaline-2-carboxamide (CID 91789371) is N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]quinoxaline-2-carboxamide is O=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1cnc2ccccc2n1.
What is the InChIKey of N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]quinoxaline-2-carboxamide?
The InChIKey is KSAUMBUYNIFWHR-NVXWUHKLSA-N. The full InChI is InChI=1S/C18H18N4O3S/c23-18(16-7-19-13-3-1-2-4-14(13)21-16)22-15-5-6-24-9-17(15)25-8-12-10-26-11-20-12/h1-4,7,10-11,15,17H,5-6,8-9H2,(H,22,23)/t15-,17-/m1/s1.
What are the key properties of N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]quinoxaline-2-carboxamide?
N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]quinoxaline-2-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]quinoxaline-2-carboxamide is sourced from PubChem (CID 91789371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).