N-[3-(3-hydroxyoxetan-3-yl)-5-morpholin-4-ylphenyl]formamide

C14H18N2O4 — CID 156561074

IUPACN-[3-(3-hydroxyoxetan-3-yl)-5-morpholin-4-ylphenyl]formamide
SMILESO=CNc1cc(N2CCOCC2)cc(C2(O)COC2)c1
InChIInChI=1S/C14H18N2O4/c17-10-15-12-5-11(14(18)8-20-9-14)6-13(7-12)16-1-3-19-4-2-16/h5-7,10,18H,1-4,8-9H2,(H,15,17)
InChIKeyLCJDNBYMHXSFPS-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.31
Rot. Bonds4

About N-[3-(3-hydroxyoxetan-3-yl)-5-morpholin-4-ylphenyl]formamide

N-[3-(3-hydroxyoxetan-3-yl)-5-morpholin-4-ylphenyl]formamide (PubChem CID 156561074) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-[3-(3-hydroxyoxetan-3-yl)-5-morpholin-4-ylphenyl]formamide.

Molecular Properties

Compound NameN-[3-(3-hydroxyoxetan-3-yl)-5-morpholin-4-ylphenyl]formamide
PubChem CID156561074
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC NameN-[3-(3-hydroxyoxetan-3-yl)-5-morpholin-4-ylphenyl]formamide
SMILESO=CNc1cc(N2CCOCC2)cc(C2(O)COC2)c1
InChIInChI=1S/C14H18N2O4/c17-10-15-12-5-11(14(18)8-20-9-14)6-13(7-12)16-1-3-19-4-2-16/h5-7,10,18H,1-4,8-9H2,(H,15,17)
InChIKeyLCJDNBYMHXSFPS-UHFFFAOYSA-N
XLogP0.31
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-methyl-3-[1-(4-morpholin-4-ylphenyl)ethenyl]phenyl]formamide
CID 134567230
N-[4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]formamide
CID 172863969
2-[3-(3-hydroxyoxetan-3-yl)-5-morpholin-4-ylphenyl]-1-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 175289276
5-morpholin-4-ylbenzene-1,3-diol
CID 58923367
N-(5-chloro-2-morpholin-4-ylphenyl)formamide
CID 168653887
N-(5-morpholin-4-yl-2-propan-2-ylsulfonylphenyl)formamide
CID 168652539
3-morpholin-4-yl-5-(trifluoromethoxy)benzoic acid
CID 67454022
N-(3-formamidophenyl)morpholine-4-carboxamide
CID 168652828
3-methyl-N-(4-morpholin-4-ylphenyl)but-2-enamide
CID 731852
N-(5-morpholin-4-yl-1,3-thiazol-2-yl)formamide
CID 15398953
3-amino-5-morpholin-4-ylbenzoic acid
CID 67513749
3-chloro-5-morpholin-4-ylphenol
CID 130057558

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-hydroxyoxetan-3-yl)-5-morpholin-4-ylphenyl]formamide?
The IUPAC name of N-[3-(3-hydroxyoxetan-3-yl)-5-morpholin-4-ylphenyl]formamide (CID 156561074) is N-[3-(3-hydroxyoxetan-3-yl)-5-morpholin-4-ylphenyl]formamide.
What is the SMILES notation for N-[3-(3-hydroxyoxetan-3-yl)-5-morpholin-4-ylphenyl]formamide?
The canonical SMILES for N-[3-(3-hydroxyoxetan-3-yl)-5-morpholin-4-ylphenyl]formamide is O=CNc1cc(N2CCOCC2)cc(C2(O)COC2)c1.
What is the InChIKey of N-[3-(3-hydroxyoxetan-3-yl)-5-morpholin-4-ylphenyl]formamide?
The InChIKey is LCJDNBYMHXSFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c17-10-15-12-5-11(14(18)8-20-9-14)6-13(7-12)16-1-3-19-4-2-16/h5-7,10,18H,1-4,8-9H2,(H,15,17).
What are the key properties of N-[3-(3-hydroxyoxetan-3-yl)-5-morpholin-4-ylphenyl]formamide?
N-[3-(3-hydroxyoxetan-3-yl)-5-morpholin-4-ylphenyl]formamide has a molecular weight of 278.31 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-hydroxyoxetan-3-yl)-5-morpholin-4-ylphenyl]formamide is sourced from PubChem (CID 156561074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).