N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methyl-4-nitropyridin-2-amine

C12H14N4O3 — CID 106373391

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methyl-4-nitropyridin-2-amine
SMILESCCc1cnc(CNc2cc([N+](=O)[O-])c(C)cn2)o1
InChIInChI=1S/C12H14N4O3/c1-3-9-6-15-12(19-9)7-14-11-4-10(16(17)18)8(2)5-13-11/h4-6H,3,7H2,1-2H3,(H,13,14)
InChIKeyLLGDGHCZEFNILQ-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.46
Rot. Bonds5

About N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methyl-4-nitropyridin-2-amine

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methyl-4-nitropyridin-2-amine (PubChem CID 106373391) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methyl-4-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methyl-4-nitropyridin-2-amine
PubChem CID106373391
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methyl-4-nitropyridin-2-amine
SMILESCCc1cnc(CNc2cc([N+](=O)[O-])c(C)cn2)o1
InChIInChI=1S/C12H14N4O3/c1-3-9-6-15-12(19-9)7-14-11-4-10(16(17)18)8(2)5-13-11/h4-6H,3,7H2,1-2H3,(H,13,14)
InChIKeyLLGDGHCZEFNILQ-UHFFFAOYSA-N
XLogP2.46
TPSA94.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methyl-4-nitropyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-nitropyridin-2-amine
CID 114180511
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-methyl-3-nitrophenyl)methanamine
CID 103275097
4,5-dichloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-nitroaniline
CID 106373420
N-ethyl-5-methyl-4-nitropyridin-2-amine
CID 15372751
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-N-methyl-5-nitropyrimidine-2,4-diamine
CID 106378473
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3,5-difluoro-2-nitroaniline
CID 106373592
4-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-3-nitrobenzoic acid
CID 106372970
6-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
CID 106898452
5-methyl-4-nitro-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 83267359
N-[(4-bromothiophen-2-yl)methyl]-5-methyl-4-nitropyridin-2-amine
CID 83268193
N-(cyclopropylmethyl)-5-methyl-4-nitropyridin-2-amine
CID 83267584
4-[[(5-methyl-4-nitro-2-pyridinyl)amino]methyl]phenol
CID 114332551

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methyl-4-nitropyridin-2-amine?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methyl-4-nitropyridin-2-amine (CID 106373391) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methyl-4-nitropyridin-2-amine.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methyl-4-nitropyridin-2-amine?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methyl-4-nitropyridin-2-amine is CCc1cnc(CNc2cc([N+](=O)[O-])c(C)cn2)o1.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methyl-4-nitropyridin-2-amine?
The InChIKey is LLGDGHCZEFNILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-3-9-6-15-12(19-9)7-14-11-4-10(16(17)18)8(2)5-13-11/h4-6H,3,7H2,1-2H3,(H,13,14).
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methyl-4-nitropyridin-2-amine?
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methyl-4-nitropyridin-2-amine has a molecular weight of 262.27 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methyl-4-nitropyridin-2-amine is sourced from PubChem (CID 106373391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).