N-[[2-[6-[bis(2-methoxyethyl)amino]-3-pyridinyl]-1,3-benzoxazol-5-yl]methyl]hydroxylamine

C19H24N4O4 — CID 166668492

IUPACN-[[2-[6-[bis(2-methoxyethyl)amino]-3-pyridinyl]-1,3-benzoxazol-5-yl]methyl]hydroxylamine
SMILESCOCCN(CCOC)c1ccc(-c2nc3cc(CNO)ccc3o2)cn1
InChIInChI=1S/C19H24N4O4/c1-25-9-7-23(8-10-26-2)18-6-4-15(13-20-18)19-22-16-11-14(12-21-24)3-5-17(16)27-19/h3-6,11,13,21,24H,7-10,12H2,1-2H3
InChIKeyLDSBIIMVJMHFBU-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.47
Rot. Bonds10

About N-[[2-[6-[bis(2-methoxyethyl)amino]-3-pyridinyl]-1,3-benzoxazol-5-yl]methyl]hydroxylamine

N-[[2-[6-[bis(2-methoxyethyl)amino]-3-pyridinyl]-1,3-benzoxazol-5-yl]methyl]hydroxylamine (PubChem CID 166668492) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[[2-[6-[bis(2-methoxyethyl)amino]-3-pyridinyl]-1,3-benzoxazol-5-yl]methyl]hydroxylamine.

Molecular Properties

Compound NameN-[[2-[6-[bis(2-methoxyethyl)amino]-3-pyridinyl]-1,3-benzoxazol-5-yl]methyl]hydroxylamine
PubChem CID166668492
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC NameN-[[2-[6-[bis(2-methoxyethyl)amino]-3-pyridinyl]-1,3-benzoxazol-5-yl]methyl]hydroxylamine
SMILESCOCCN(CCOC)c1ccc(-c2nc3cc(CNO)ccc3o2)cn1
InChIInChI=1S/C19H24N4O4/c1-25-9-7-23(8-10-26-2)18-6-4-15(13-20-18)19-22-16-11-14(12-21-24)3-5-17(16)27-19/h3-6,11,13,21,24H,7-10,12H2,1-2H3
InChIKeyLDSBIIMVJMHFBU-UHFFFAOYSA-N
XLogP2.47
TPSA92.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(ethylaminomethyl)-N,N-bis(2-methoxyethyl)pyridin-2-amine
CID 62287077
N-(2-methoxyethyl)-2-(6-methoxy-3-pyridinyl)-1,3-benzoxazole-5-carboxamide
CID 134799855
(2S)-1-[[2-[6-(dimethylamino)-3-pyridinyl]-1,3-benzoxazol-5-yl]oxy]-3-fluoropropan-2-ol
CID 122413455
1-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine
CID 82357631
4-(5-ethyl-1,3-benzoxazol-2-yl)phenol
CID 136658114
2-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetic acid
CID 82036585
N,5-diethyl-N-(2-methoxyethyl)pyridin-2-amine
CID 170641269
2-[3-(3-methoxypropoxy)-4-pyridinyl]-5-(2,2,2-trifluoroethyl)-1,3-benzoxazole
CID 129159223
4-(5-ethyl-1,3-benzoxazol-2-yl)-N,N-dimethylaniline
CID 91684357
[2-(3-amino-4-methoxyphenyl)-1,3-benzoxazol-5-yl]methanol
CID 83970982
methyl 2-[4-(bromomethyl)phenyl]-1,3-benzoxazole-5-carboxylate
CID 23459189
5-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzoxazol-2-yl]-N-methylpyridin-2-amine
CID 71462647

Frequently Asked Questions

What is the IUPAC name of N-[[2-[6-[bis(2-methoxyethyl)amino]-3-pyridinyl]-1,3-benzoxazol-5-yl]methyl]hydroxylamine?
The IUPAC name of N-[[2-[6-[bis(2-methoxyethyl)amino]-3-pyridinyl]-1,3-benzoxazol-5-yl]methyl]hydroxylamine (CID 166668492) is N-[[2-[6-[bis(2-methoxyethyl)amino]-3-pyridinyl]-1,3-benzoxazol-5-yl]methyl]hydroxylamine.
What is the SMILES notation for N-[[2-[6-[bis(2-methoxyethyl)amino]-3-pyridinyl]-1,3-benzoxazol-5-yl]methyl]hydroxylamine?
The canonical SMILES for N-[[2-[6-[bis(2-methoxyethyl)amino]-3-pyridinyl]-1,3-benzoxazol-5-yl]methyl]hydroxylamine is COCCN(CCOC)c1ccc(-c2nc3cc(CNO)ccc3o2)cn1.
What is the InChIKey of N-[[2-[6-[bis(2-methoxyethyl)amino]-3-pyridinyl]-1,3-benzoxazol-5-yl]methyl]hydroxylamine?
The InChIKey is LDSBIIMVJMHFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-25-9-7-23(8-10-26-2)18-6-4-15(13-20-18)19-22-16-11-14(12-21-24)3-5-17(16)27-19/h3-6,11,13,21,24H,7-10,12H2,1-2H3.
What are the key properties of N-[[2-[6-[bis(2-methoxyethyl)amino]-3-pyridinyl]-1,3-benzoxazol-5-yl]methyl]hydroxylamine?
N-[[2-[6-[bis(2-methoxyethyl)amino]-3-pyridinyl]-1,3-benzoxazol-5-yl]methyl]hydroxylamine has a molecular weight of 372.43 g/mol, XLogP of 2.47, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[6-[bis(2-methoxyethyl)amino]-3-pyridinyl]-1,3-benzoxazol-5-yl]methyl]hydroxylamine is sourced from PubChem (CID 166668492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).