N-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]-5-methyloxolane-3-carboxamide

C14H19N3O4 — CID 114827095

IUPACN-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]-5-methyloxolane-3-carboxamide
SMILESCOc1cc(/C(N)=N/O)ccc1NC(=O)C1COC(C)C1
InChIInChI=1S/C14H19N3O4/c1-8-5-10(7-21-8)14(18)16-11-4-3-9(13(15)17-19)6-12(11)20-2/h3-4,6,8,10,19H,5,7H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyOVZUAGHIEWFIBG-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.15
Rot. Bonds4

About N-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]-5-methyloxolane-3-carboxamide

N-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]-5-methyloxolane-3-carboxamide (PubChem CID 114827095) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]-5-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]-5-methyloxolane-3-carboxamide
PubChem CID114827095
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC NameN-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]-5-methyloxolane-3-carboxamide
SMILESCOc1cc(/C(N)=N/O)ccc1NC(=O)C1COC(C)C1
InChIInChI=1S/C14H19N3O4/c1-8-5-10(7-21-8)14(18)16-11-4-3-9(13(15)17-19)6-12(11)20-2/h3-4,6,8,10,19H,5,7H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyOVZUAGHIEWFIBG-UHFFFAOYSA-N
XLogP1.15
TPSA106.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-5-methyloxolane-3-carboxamide
CID 107809867
N-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]-2-methylcyclopentane-1-carboxamide
CID 107182858
N-[4-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-5-methyloxolane-3-carboxamide
CID 114827094
N-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]-2-methylpropanamide
CID 113460435
N-[[2-fluoro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]-5-methyloxolane-3-carboxamide
CID 114827088
N-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]-2-methoxyacetamide
CID 104849887
N-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]thiane-2-carboxamide
CID 104849937
1-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]-3-(oxolan-3-yl)urea
CID 104849955
N-(4-carbamothioyl-2-fluorophenyl)-5-methyloxolane-3-carboxamide
CID 114825640
2-bromo-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]furan-3-carboxamide
CID 106855807
N-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 104849872
5-chloro-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]furan-2-carboxamide
CID 106689373

Frequently Asked Questions

What is the IUPAC name of N-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]-5-methyloxolane-3-carboxamide?
The IUPAC name of N-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]-5-methyloxolane-3-carboxamide (CID 114827095) is N-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]-5-methyloxolane-3-carboxamide.
What is the SMILES notation for N-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]-5-methyloxolane-3-carboxamide?
The canonical SMILES for N-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]-5-methyloxolane-3-carboxamide is COc1cc(/C(N)=N/O)ccc1NC(=O)C1COC(C)C1.
What is the InChIKey of N-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]-5-methyloxolane-3-carboxamide?
The InChIKey is OVZUAGHIEWFIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-8-5-10(7-21-8)14(18)16-11-4-3-9(13(15)17-19)6-12(11)20-2/h3-4,6,8,10,19H,5,7H2,1-2H3,(H2,15,17)(H,16,18).
What are the key properties of N-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]-5-methyloxolane-3-carboxamide?
N-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]-5-methyloxolane-3-carboxamide has a molecular weight of 293.32 g/mol, XLogP of 1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]-5-methyloxolane-3-carboxamide is sourced from PubChem (CID 114827095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).