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

C14H16N4O3 — CID 106375720

IUPAC2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
SMILESCc1cnc(CNC(=O)Cc2ccc(/C(N)=N/O)cc2)o1
InChIInChI=1S/C14H16N4O3/c1-9-7-17-13(21-9)8-16-12(19)6-10-2-4-11(5-3-10)14(15)18-20/h2-5,7,20H,6,8H2,1H3,(H2,15,18)(H,16,19)
InChIKeyXHQYWOGJYPLOBX-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.94
Rot. Bonds5

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

2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide (PubChem CID 106375720) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
PubChem CID106375720
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
SMILESCc1cnc(CNC(=O)Cc2ccc(/C(N)=N/O)cc2)o1
InChIInChI=1S/C14H16N4O3/c1-9-7-17-13(21-9)8-16-12(19)6-10-2-4-11(5-3-10)14(15)18-20/h2-5,7,20H,6,8H2,1H3,(H2,15,18)(H,16,19)
InChIKeyXHQYWOGJYPLOBX-UHFFFAOYSA-N
XLogP0.94
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 ≤ 50.94
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-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-phenylacetamide
CID 110660350
2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 77001198
3-amino-3-hydroxyimino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106375701
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 106375670
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 83622965
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 110660403
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(3-methylphenyl)acetamide
CID 110660404
3-(4-aminophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106368624
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(4-methylphenyl)propanamide
CID 110660397
5-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]furan-2-carboxamide
CID 103811606
2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 77000863
2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-(2-methoxyethyl)acetamide
CID 77001315

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide?
The IUPAC name of 2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide (CID 106375720) is 2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide is Cc1cnc(CNC(=O)Cc2ccc(/C(N)=N/O)cc2)o1.
What is the InChIKey of 2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide?
The InChIKey is XHQYWOGJYPLOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-9-7-17-13(21-9)8-16-12(19)6-10-2-4-11(5-3-10)14(15)18-20/h2-5,7,20H,6,8H2,1H3,(H2,15,18)(H,16,19).
What are the key properties of 2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide?
2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide has a molecular weight of 288.31 g/mol, XLogP of 0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide is sourced from PubChem (CID 106375720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).