N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide

C14H16N4O3 — CID 106375670

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
SMILESCCc1cnc(CNC(=O)c2ccc(/C(N)=N/O)cc2)o1
InChIInChI=1S/C14H16N4O3/c1-2-11-7-16-12(21-11)8-17-14(19)10-5-3-9(4-6-10)13(15)18-20/h3-7,20H,2,8H2,1H3,(H2,15,18)(H,17,19)
InChIKeyANIQWJJCVOPPRY-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.26
Rot. Bonds5

About N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide (PubChem CID 106375670) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
PubChem CID106375670
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
SMILESCCc1cnc(CNC(=O)c2ccc(/C(N)=N/O)cc2)o1
InChIInChI=1S/C14H16N4O3/c1-2-11-7-16-12(21-11)8-17-14(19)10-5-3-9(4-6-10)13(15)18-20/h3-7,20H,2,8H2,1H3,(H2,15,18)(H,17,19)
InChIKeyANIQWJJCVOPPRY-UHFFFAOYSA-N
XLogP1.26
TPSA113.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.26
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

2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 106375720
4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3,5-difluorobenzamide
CID 106377037
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-hydroxy-4-methoxybenzamide
CID 106372869
2-(4-aminophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide
CID 106368469
5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,4-dimethylbenzamide
CID 106368562
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
CID 106375673
4-amino-N-ethyl-3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]benzamide
CID 106369443
4-[(E)-N'-hydroxycarbamimidoyl]-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106421882
(2S)-2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106371001
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-hydroxypyridine-4-carboxamide
CID 106372873
5-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]thiophene-2-carboxamide
CID 104935632
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-hydrazinylpyridine-4-carboxamide
CID 106377464

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide (CID 106375670) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide is CCc1cnc(CNC(=O)c2ccc(/C(N)=N/O)cc2)o1.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide?
The InChIKey is ANIQWJJCVOPPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-2-11-7-16-12(21-11)8-17-14(19)10-5-3-9(4-6-10)13(15)18-20/h3-7,20H,2,8H2,1H3,(H2,15,18)(H,17,19).
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide?
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide has a molecular weight of 288.31 g/mol, XLogP of 1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide is sourced from PubChem (CID 106375670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).