methyl 2-[[5-(1,3-benzoxazol-2-ylamino)-2-pyridinyl]oxy]propanoate

C16H15N3O4 — CID 134106409

IUPACmethyl 2-[[5-(1,3-benzoxazol-2-ylamino)-2-pyridinyl]oxy]propanoate
SMILESCOC(=O)C(C)Oc1ccc(Nc2nc3ccccc3o2)cn1
InChIInChI=1S/C16H15N3O4/c1-10(15(20)21-2)22-14-8-7-11(9-17-14)18-16-19-12-5-3-4-6-13(12)23-16/h3-10H,1-2H3,(H,18,19)
InChIKeyOOVMKVRMIWLCCC-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.91
Rot. Bonds5

About methyl 2-[[5-(1,3-benzoxazol-2-ylamino)-2-pyridinyl]oxy]propanoate

methyl 2-[[5-(1,3-benzoxazol-2-ylamino)-2-pyridinyl]oxy]propanoate (PubChem CID 134106409) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is methyl 2-[[5-(1,3-benzoxazol-2-ylamino)-2-pyridinyl]oxy]propanoate.

Molecular Properties

Compound Namemethyl 2-[[5-(1,3-benzoxazol-2-ylamino)-2-pyridinyl]oxy]propanoate
PubChem CID134106409
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Namemethyl 2-[[5-(1,3-benzoxazol-2-ylamino)-2-pyridinyl]oxy]propanoate
SMILESCOC(=O)C(C)Oc1ccc(Nc2nc3ccccc3o2)cn1
InChIInChI=1S/C16H15N3O4/c1-10(15(20)21-2)22-14-8-7-11(9-17-14)18-16-19-12-5-3-4-6-13(12)23-16/h3-10H,1-2H3,(H,18,19)
InChIKeyOOVMKVRMIWLCCC-UHFFFAOYSA-N
XLogP2.91
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-(1,3-benzoxazol-2-ylamino)-2-methylpropanoate
CID 67445136
methyl 4-[4-(1,3-benzoxazol-2-ylamino)phenoxy]butanoate
CID 133302692
N-(3-ethoxyphenyl)-1,3-benzoxazol-2-amine
CID 53419157
N-[4-[[4-(1,3-benzoxazol-2-ylamino)phenyl]methyl]phenyl]-1,3-benzoxazol-2-amine
CID 14688880
ethane;N-(4-ethylphenyl)-1,3-benzoxazol-2-amine
CID 90886573
3-(1,3-benzoxazol-2-ylamino)-2-methoxypropanoic acid
CID 106108341
methyl 3-(1,3-benzoxazol-2-ylamino)propanoate
CID 47277708
N-(3,5-dichlorophenyl)-1,3-benzoxazol-2-amine
CID 53419153
3-(1,3-benzoxazol-2-ylamino)-3-methylbutan-2-ol
CID 115865807
ethyl 2-(1,3-benzoxazol-2-ylamino)pyridine-4-carboxylate
CID 108773587
1-O-ethyl 4-O-methyl (2R)-2-(1,3-benzoxazol-2-ylamino)butanedioate
CID 640725
N-[(6-pentoxy-3-pyridinyl)carbamothioyl]-1,3-benzoxazole-2-carboxamide
CID 25173247

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-(1,3-benzoxazol-2-ylamino)-2-pyridinyl]oxy]propanoate?
The IUPAC name of methyl 2-[[5-(1,3-benzoxazol-2-ylamino)-2-pyridinyl]oxy]propanoate (CID 134106409) is methyl 2-[[5-(1,3-benzoxazol-2-ylamino)-2-pyridinyl]oxy]propanoate.
What is the SMILES notation for methyl 2-[[5-(1,3-benzoxazol-2-ylamino)-2-pyridinyl]oxy]propanoate?
The canonical SMILES for methyl 2-[[5-(1,3-benzoxazol-2-ylamino)-2-pyridinyl]oxy]propanoate is COC(=O)C(C)Oc1ccc(Nc2nc3ccccc3o2)cn1.
What is the InChIKey of methyl 2-[[5-(1,3-benzoxazol-2-ylamino)-2-pyridinyl]oxy]propanoate?
The InChIKey is OOVMKVRMIWLCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-10(15(20)21-2)22-14-8-7-11(9-17-14)18-16-19-12-5-3-4-6-13(12)23-16/h3-10H,1-2H3,(H,18,19).
What are the key properties of methyl 2-[[5-(1,3-benzoxazol-2-ylamino)-2-pyridinyl]oxy]propanoate?
methyl 2-[[5-(1,3-benzoxazol-2-ylamino)-2-pyridinyl]oxy]propanoate has a molecular weight of 313.31 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-(1,3-benzoxazol-2-ylamino)-2-pyridinyl]oxy]propanoate is sourced from PubChem (CID 134106409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).