4-[[2-(cyclopentylamino)-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxylic acid

C18H17N3O4 — CID 142780749

IUPAC4-[[2-(cyclopentylamino)-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(Oc2ccc3nc(NC4CCCC4)oc3c2)ccn1
InChIInChI=1S/C18H17N3O4/c22-17(23)15-9-13(7-8-19-15)24-12-5-6-14-16(10-12)25-18(21-14)20-11-3-1-2-4-11/h5-11H,1-4H2,(H,20,21)(H,22,23)
InChIKeyDXEWFJDNTOOXRX-UHFFFAOYSA-N
MW339.35 g/mol
LogP4.07
Rot. Bonds5

About 4-[[2-(cyclopentylamino)-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxylic acid

4-[[2-(cyclopentylamino)-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxylic acid (PubChem CID 142780749) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 4-[[2-(cyclopentylamino)-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(cyclopentylamino)-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxylic acid
PubChem CID142780749
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name4-[[2-(cyclopentylamino)-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(Oc2ccc3nc(NC4CCCC4)oc3c2)ccn1
InChIInChI=1S/C18H17N3O4/c22-17(23)15-9-13(7-8-19-15)24-12-5-6-14-16(10-12)25-18(21-14)20-11-3-1-2-4-11/h5-11H,1-4H2,(H,20,21)(H,22,23)
InChIKeyDXEWFJDNTOOXRX-UHFFFAOYSA-N
XLogP4.07
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[2-(oxan-4-ylamino)-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxylic acid
CID 142780773
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
[[4-[[2-(cyclohexylmethylamino)-1,3-benzoxazol-6-yl]oxy]pyridine-2-carbonyl]amino]carbamic acid
CID 141187566
4-[[2-[(4-chlorophenyl)methylamino]-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxylic acid
CID 141187575
4-[[2-[(2,6-dimethoxyphenyl)methylamino]-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxylic acid
CID 142780795
4-[[2-[(3,4-dimethoxyphenyl)methylamino]-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxylic acid
CID 142780772
4-[[2-(cyclohexylmethylamino)-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboximidamide
CID 89325818
4-cyclohexyloxypyridine-2-carboxylic acid
CID 43142909
4-[[2-(benzylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide;methanol
CID 143564411
2-(oxan-4-ylamino)-1,3-benzoxazole-6-carboxylic acid
CID 116690769
4-(2,3-dihydro-1H-inden-5-yloxy)pyridine-2-carboxylic acid
CID 43326034

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(cyclopentylamino)-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxylic acid?
The IUPAC name of 4-[[2-(cyclopentylamino)-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxylic acid (CID 142780749) is 4-[[2-(cyclopentylamino)-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[[2-(cyclopentylamino)-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[[2-(cyclopentylamino)-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxylic acid is O=C(O)c1cc(Oc2ccc3nc(NC4CCCC4)oc3c2)ccn1.
What is the InChIKey of 4-[[2-(cyclopentylamino)-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxylic acid?
The InChIKey is DXEWFJDNTOOXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c22-17(23)15-9-13(7-8-19-15)24-12-5-6-14-16(10-12)25-18(21-14)20-11-3-1-2-4-11/h5-11H,1-4H2,(H,20,21)(H,22,23).
What are the key properties of 4-[[2-(cyclopentylamino)-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxylic acid?
4-[[2-(cyclopentylamino)-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxylic acid has a molecular weight of 339.35 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(cyclopentylamino)-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 142780749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).