N-methyl-5-[5-[(5-methyl-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]pyridine-2-carboxamide

C21H18N4O3 — CID 157274002

IUPACN-methyl-5-[5-[(5-methyl-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2nc3cc(OCc4ccc(C)cn4)ccc3o2)cn1
InChIInChI=1S/C21H18N4O3/c1-13-3-5-15(23-10-13)12-27-16-6-8-19-18(9-16)25-21(28-19)14-4-7-17(24-11-14)20(26)22-2/h3-11H,12H2,1-2H3,(H,22,26)
InChIKeyAYWJOIHDLNMNBH-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.53
Rot. Bonds5

About N-methyl-5-[5-[(5-methyl-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]pyridine-2-carboxamide

N-methyl-5-[5-[(5-methyl-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]pyridine-2-carboxamide (PubChem CID 157274002) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-methyl-5-[5-[(5-methyl-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[5-[(5-methyl-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]pyridine-2-carboxamide
PubChem CID157274002
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC NameN-methyl-5-[5-[(5-methyl-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2nc3cc(OCc4ccc(C)cn4)ccc3o2)cn1
InChIInChI=1S/C21H18N4O3/c1-13-3-5-15(23-10-13)12-27-16-6-8-19-18(9-16)25-21(28-19)14-4-7-17(24-11-14)20(26)22-2/h3-11H,12H2,1-2H3,(H,22,26)
InChIKeyAYWJOIHDLNMNBH-UHFFFAOYSA-N
XLogP3.53
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[5-(methoxymethoxy)-2-pyridinyl]methoxy]-2-(6-methyl-3-pyridinyl)-1,3-benzoxazole
CID 166644722
5-[(5-methoxy-2-pyridinyl)methoxy]-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazole
CID 118905431
6-[[2-[3-(methylaminomethyl)phenyl]-1,3-benzoxazol-5-yl]oxymethyl]pyridin-3-ol
CID 118913258
5-[(4-methylphenyl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole
CID 153469802
1-[3-[5-[(5-methoxy-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]phenyl]-N-methylmethanamine
CID 118905097
[6-[[2-[2-(methylcarbamoyl)-1,2-dihydropyridin-5-yl]-1,3-benzoxazol-5-yl]oxymethyl]-3-pyridinyl]oxidanium
CID 177056319
5-[[5-(ethoxymethoxy)-2-pyridinyl]methoxy]-2-pyridin-3-yl-1,3-benzoxazole
CID 159177911
5-[5-[(5-hydroxy-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]-1-methylpyrazin-2-one
CID 177055873
N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(3,4-dimethylphenoxy)acetamide
CID 1333954
2-(1-benzofuran-2-yl)-5-[(5-methoxy-2-pyridinyl)methoxy]-1,3-benzoxazole
CID 118905509
N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]-2-naphthalen-2-yloxyacetamide
CID 2281677
N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 3502962

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[5-[(5-methyl-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-5-[5-[(5-methyl-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]pyridine-2-carboxamide (CID 157274002) is N-methyl-5-[5-[(5-methyl-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-5-[5-[(5-methyl-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-5-[5-[(5-methyl-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]pyridine-2-carboxamide is CNC(=O)c1ccc(-c2nc3cc(OCc4ccc(C)cn4)ccc3o2)cn1.
What is the InChIKey of N-methyl-5-[5-[(5-methyl-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]pyridine-2-carboxamide?
The InChIKey is AYWJOIHDLNMNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-13-3-5-15(23-10-13)12-27-16-6-8-19-18(9-16)25-21(28-19)14-4-7-17(24-11-14)20(26)22-2/h3-11H,12H2,1-2H3,(H,22,26).
What are the key properties of N-methyl-5-[5-[(5-methyl-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]pyridine-2-carboxamide?
N-methyl-5-[5-[(5-methyl-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]pyridine-2-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[5-[(5-methyl-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 157274002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).