3-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-nitroaniline

C11H13N5O3 — CID 114181142

IUPAC3-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-nitroaniline
SMILESCc1cnc(CNc2cc(NN)cc([N+](=O)[O-])c2)o1
InChIInChI=1S/C11H13N5O3/c1-7-5-14-11(19-7)6-13-8-2-9(15-12)4-10(3-8)16(17)18/h2-5,13,15H,6,12H2,1H3
InChIKeyJKMLEMUJKMNAIF-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.79
Rot. Bonds5

About 3-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-nitroaniline

3-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-nitroaniline (PubChem CID 114181142) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is 3-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-nitroaniline.

Molecular Properties

Compound Name3-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-nitroaniline
PubChem CID114181142
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Name3-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-nitroaniline
SMILESCc1cnc(CNc2cc(NN)cc([N+](=O)[O-])c2)o1
InChIInChI=1S/C11H13N5O3/c1-7-5-14-11(19-7)6-13-8-2-9(15-12)4-10(3-8)16(17)18/h2-5,13,15H,6,12H2,1H3
InChIKeyJKMLEMUJKMNAIF-UHFFFAOYSA-N
XLogP1.79
TPSA119.25 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-5-nitrobenzoic acid
CID 106373078
3-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]-5-nitroaniline
CID 80908372
N-(2,2-dimethylbutyl)-3-hydrazinyl-5-nitroaniline
CID 103466749
3-hydrazinyl-5-nitro-N-(pyridin-4-ylmethyl)aniline
CID 80943435
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-nitroquinolin-2-amine
CID 107143500
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-nitrobenzenesulfonamide
CID 106376760
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-nitro-1,3-thiazol-2-amine
CID 106373712
N-[(4-bromothiophen-2-yl)methyl]-3-hydrazinyl-5-nitroaniline
CID 80917328
methyl 5-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-nitrobenzoate
CID 75515225
3-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-nitrobenzene-1,3-diamine
CID 106378825
2,3-difluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-nitroaniline
CID 106373830
3-N-ethyl-5-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-3,5-diamine
CID 106378568

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-nitroaniline?
The IUPAC name of 3-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-nitroaniline (CID 114181142) is 3-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-nitroaniline.
What is the SMILES notation for 3-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-nitroaniline?
The canonical SMILES for 3-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-nitroaniline is Cc1cnc(CNc2cc(NN)cc([N+](=O)[O-])c2)o1.
What is the InChIKey of 3-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-nitroaniline?
The InChIKey is JKMLEMUJKMNAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c1-7-5-14-11(19-7)6-13-8-2-9(15-12)4-10(3-8)16(17)18/h2-5,13,15H,6,12H2,1H3.
What are the key properties of 3-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-nitroaniline?
3-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-nitroaniline has a molecular weight of 263.26 g/mol, XLogP of 1.79, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-nitroaniline is sourced from PubChem (CID 114181142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).