1-(methoxymethyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylthieno[2,3-d]imidazole-5-carboxamide

C20H21N5O4S — CID 118618295

IUPAC1-(methoxymethyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylthieno[2,3-d]imidazole-5-carboxamide
SMILESCOCn1c(N2CCOCC2)nc2sc(C(=O)Nc3ccc4oc(C)nc4c3)cc21
InChIInChI=1S/C20H21N5O4S/c1-12-21-14-9-13(3-4-16(14)29-12)22-18(26)17-10-15-19(30-17)23-20(25(15)11-27-2)24-5-7-28-8-6-24/h3-4,9-10H,5-8,11H2,1-2H3,(H,22,26)
InChIKeyLORUXEVRPVXRRC-UHFFFAOYSA-N
MW427.49 g/mol
LogP3.24
Rot. Bonds5

About 1-(methoxymethyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylthieno[2,3-d]imidazole-5-carboxamide

1-(methoxymethyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylthieno[2,3-d]imidazole-5-carboxamide (PubChem CID 118618295) has the molecular formula C20H21N5O4S and a molecular weight of 427.49 g/mol. Its IUPAC name is 1-(methoxymethyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylthieno[2,3-d]imidazole-5-carboxamide.

Molecular Properties

Compound Name1-(methoxymethyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylthieno[2,3-d]imidazole-5-carboxamide
PubChem CID118618295
Molecular FormulaC20H21N5O4S
Molecular Weight427.49 g/mol
Exact Mass427.13
IUPAC Name1-(methoxymethyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylthieno[2,3-d]imidazole-5-carboxamide
SMILESCOCn1c(N2CCOCC2)nc2sc(C(=O)Nc3ccc4oc(C)nc4c3)cc21
InChIInChI=1S/C20H21N5O4S/c1-12-21-14-9-13(3-4-16(14)29-12)22-18(26)17-10-15-19(30-17)23-20(25(15)11-27-2)24-5-7-28-8-6-24/h3-4,9-10H,5-8,11H2,1-2H3,(H,22,26)
InChIKeyLORUXEVRPVXRRC-UHFFFAOYSA-N
XLogP3.24
TPSA94.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(2-methyl-1,3-benzoxazol-5-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 9453874
N-(2-methyl-1,3-benzoxazol-5-yl)-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 140783698
2-[2-methoxyethyl(propan-2-yl)amino]-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618637
2-[2-hydroxyethyl(methyl)amino]-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618336
2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618713
2-[2-(4-chlorophenoxy)ethylamino]-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618353
5-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80625344
(2R)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 41042415
4-(acetamidomethyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 34304149
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 61273973
N-(2-methyl-1,3-benzoxazol-5-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 17462153
2-[(2-methyl-1,3-benzoxazol-5-yl)carbamoylamino]acetic acid
CID 82498910

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylthieno[2,3-d]imidazole-5-carboxamide?
The IUPAC name of 1-(methoxymethyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylthieno[2,3-d]imidazole-5-carboxamide (CID 118618295) is 1-(methoxymethyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylthieno[2,3-d]imidazole-5-carboxamide.
What is the SMILES notation for 1-(methoxymethyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylthieno[2,3-d]imidazole-5-carboxamide?
The canonical SMILES for 1-(methoxymethyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylthieno[2,3-d]imidazole-5-carboxamide is COCn1c(N2CCOCC2)nc2sc(C(=O)Nc3ccc4oc(C)nc4c3)cc21.
What is the InChIKey of 1-(methoxymethyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylthieno[2,3-d]imidazole-5-carboxamide?
The InChIKey is LORUXEVRPVXRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4S/c1-12-21-14-9-13(3-4-16(14)29-12)22-18(26)17-10-15-19(30-17)23-20(25(15)11-27-2)24-5-7-28-8-6-24/h3-4,9-10H,5-8,11H2,1-2H3,(H,22,26).
What are the key properties of 1-(methoxymethyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylthieno[2,3-d]imidazole-5-carboxamide?
1-(methoxymethyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylthieno[2,3-d]imidazole-5-carboxamide has a molecular weight of 427.49 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylthieno[2,3-d]imidazole-5-carboxamide is sourced from PubChem (CID 118618295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).