2-(2-methoxyethyl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazole-6-carboxamide

C19H17N5O4 — CID 72876680

IUPAC2-(2-methoxyethyl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazole-6-carboxamide
SMILESCOCCc1nc2ccc(C(=O)NCc3nc(-c4ccccn4)no3)cc2o1
InChIInChI=1S/C19H17N5O4/c1-26-9-7-16-22-13-6-5-12(10-15(13)27-16)19(25)21-11-17-23-18(24-28-17)14-4-2-3-8-20-14/h2-6,8,10H,7,9,11H2,1H3,(H,21,25)
InChIKeyIWYKYKXDLSORIV-UHFFFAOYSA-N
MW379.38 g/mol
LogP2.39
Rot. Bonds7

About 2-(2-methoxyethyl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazole-6-carboxamide

2-(2-methoxyethyl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazole-6-carboxamide (PubChem CID 72876680) has the molecular formula C19H17N5O4 and a molecular weight of 379.38 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyethyl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazole-6-carboxamide
PubChem CID72876680
Molecular FormulaC19H17N5O4
Molecular Weight379.38 g/mol
Exact Mass379.13
IUPAC Name2-(2-methoxyethyl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazole-6-carboxamide
SMILESCOCCc1nc2ccc(C(=O)NCc3nc(-c4ccccn4)no3)cc2o1
InChIInChI=1S/C19H17N5O4/c1-26-9-7-16-22-13-6-5-12(10-15(13)27-16)19(25)21-11-17-23-18(24-28-17)14-4-2-3-8-20-14/h2-6,8,10H,7,9,11H2,1H3,(H,21,25)
InChIKeyIWYKYKXDLSORIV-UHFFFAOYSA-N
XLogP2.39
TPSA116.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(2-methoxyethyl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methoxyethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-benzoxazole-6-carboxamide
CID 72931105
methyl 2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79474815
N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-(triazol-1-yl)benzamide
CID 75389703
6-chloro-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide
CID 75370633
N-(2-phenylethyl)-2-pyridin-2-yl-1,3-benzoxazole-6-carboxamide
CID 134798841
N-[[3-(2-ethyl-1,3-benzoxazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 53141079
6-methyl-4-oxo-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyran-2-carboxamide
CID 77082714
2-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-benzoxazole-6-carboxamide
CID 53199043
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide
CID 42528796
N-[2-(2-methoxyphenyl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 42581632
N-(1,3-benzoxazol-2-ylmethyl)-4-methoxybenzamide
CID 110711644
2-methyl-4-oxo-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-6,7-dihydro-5H-1-benzofuran-3-carboxamide
CID 91841415

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazole-6-carboxamide?
The IUPAC name of 2-(2-methoxyethyl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazole-6-carboxamide (CID 72876680) is 2-(2-methoxyethyl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for 2-(2-methoxyethyl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for 2-(2-methoxyethyl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazole-6-carboxamide is COCCc1nc2ccc(C(=O)NCc3nc(-c4ccccn4)no3)cc2o1.
What is the InChIKey of 2-(2-methoxyethyl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazole-6-carboxamide?
The InChIKey is IWYKYKXDLSORIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O4/c1-26-9-7-16-22-13-6-5-12(10-15(13)27-16)19(25)21-11-17-23-18(24-28-17)14-4-2-3-8-20-14/h2-6,8,10H,7,9,11H2,1H3,(H,21,25).
What are the key properties of 2-(2-methoxyethyl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazole-6-carboxamide?
2-(2-methoxyethyl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazole-6-carboxamide has a molecular weight of 379.38 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 72876680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).