4-[[2-[3-amino-2-(1,3-oxazol-5-yl)phenyl]-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide

C23H17N5O4 — CID 174564823

IUPAC4-[[2-[3-amino-2-(1,3-oxazol-5-yl)phenyl]-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3nc(-c4cccc(N)c4-c4cnco4)oc3c2)ccn1
InChIInChI=1S/C23H17N5O4/c1-25-22(29)18-9-14(7-8-27-18)31-13-5-6-17-19(10-13)32-23(28-17)15-3-2-4-16(24)21(15)20-11-26-12-30-20/h2-12H,24H2,1H3,(H,25,29)
InChIKeyAYVRYHCOIBTBJW-UHFFFAOYSA-N
MW427.42 g/mol
LogP4.28
Rot. Bonds5

About 4-[[2-[3-amino-2-(1,3-oxazol-5-yl)phenyl]-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide

4-[[2-[3-amino-2-(1,3-oxazol-5-yl)phenyl]-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide (PubChem CID 174564823) has the molecular formula C23H17N5O4 and a molecular weight of 427.42 g/mol. Its IUPAC name is 4-[[2-[3-amino-2-(1,3-oxazol-5-yl)phenyl]-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[2-[3-amino-2-(1,3-oxazol-5-yl)phenyl]-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide
PubChem CID174564823
Molecular FormulaC23H17N5O4
Molecular Weight427.42 g/mol
Exact Mass427.13
IUPAC Name4-[[2-[3-amino-2-(1,3-oxazol-5-yl)phenyl]-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3nc(-c4cccc(N)c4-c4cnco4)oc3c2)ccn1
InChIInChI=1S/C23H17N5O4/c1-25-22(29)18-9-14(7-8-27-18)31-13-5-6-17-19(10-13)32-23(28-17)15-3-2-4-16(24)21(15)20-11-26-12-30-20/h2-12H,24H2,1H3,(H,25,29)
InChIKeyAYVRYHCOIBTBJW-UHFFFAOYSA-N
XLogP4.28
TPSA129.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.42
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(benzylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide;methanol
CID 143564411
4-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide
CID 24822064
4-(2-aminoquinolin-6-yl)oxy-N-methylpyridine-2-carboxamide
CID 71019360
4-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide
CID 24821306
4-(4-amino-3-methylphenoxy)-N-methylpyridine-2-carboxamide;hydrochloride
CID 66746840
N-methyl-4-[[2-(oxan-4-ylamino)-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxamide
CID 24821671
4-[[2-[[(1S,2S)-2-hydroxycyclohexyl]amino]-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide
CID 24821933
N-methyl-4-[[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxamide
CID 24821608
4-[[2-[(2,5-difluorophenyl)methylamino]-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide
CID 24821728
4-[4-(1-aminoethenyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 142886612
4-[3-(2-aminoethyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 59685040
4-[3-[[(4-methoxybenzoyl)amino]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 58858348

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[3-amino-2-(1,3-oxazol-5-yl)phenyl]-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[[2-[3-amino-2-(1,3-oxazol-5-yl)phenyl]-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide (CID 174564823) is 4-[[2-[3-amino-2-(1,3-oxazol-5-yl)phenyl]-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[[2-[3-amino-2-(1,3-oxazol-5-yl)phenyl]-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[[2-[3-amino-2-(1,3-oxazol-5-yl)phenyl]-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3nc(-c4cccc(N)c4-c4cnco4)oc3c2)ccn1.
What is the InChIKey of 4-[[2-[3-amino-2-(1,3-oxazol-5-yl)phenyl]-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide?
The InChIKey is AYVRYHCOIBTBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O4/c1-25-22(29)18-9-14(7-8-27-18)31-13-5-6-17-19(10-13)32-23(28-17)15-3-2-4-16(24)21(15)20-11-26-12-30-20/h2-12H,24H2,1H3,(H,25,29).
What are the key properties of 4-[[2-[3-amino-2-(1,3-oxazol-5-yl)phenyl]-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide?
4-[[2-[3-amino-2-(1,3-oxazol-5-yl)phenyl]-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide has a molecular weight of 427.42 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[3-amino-2-(1,3-oxazol-5-yl)phenyl]-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 174564823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).