1-[5-(2-chloro-6-nitrophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine

C11H10ClN3O3 — CID 65178511

IUPAC1-[5-(2-chloro-6-nitrophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
SMILESCNCc1ncc(-c2c(Cl)cccc2[N+](=O)[O-])o1
InChIInChI=1S/C11H10ClN3O3/c1-13-6-10-14-5-9(18-10)11-7(12)3-2-4-8(11)15(16)17/h2-5,13H,6H2,1H3
InChIKeyPAUGWYDSVVRLGM-UHFFFAOYSA-N
MW267.67 g/mol
LogP2.62
Rot. Bonds4

About 1-[5-(2-chloro-6-nitrophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine

1-[5-(2-chloro-6-nitrophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine (PubChem CID 65178511) has the molecular formula C11H10ClN3O3 and a molecular weight of 267.67 g/mol. Its IUPAC name is 1-[5-(2-chloro-6-nitrophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(2-chloro-6-nitrophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
PubChem CID65178511
Molecular FormulaC11H10ClN3O3
Molecular Weight267.67 g/mol
Exact Mass267.04
IUPAC Name1-[5-(2-chloro-6-nitrophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
SMILESCNCc1ncc(-c2c(Cl)cccc2[N+](=O)[O-])o1
InChIInChI=1S/C11H10ClN3O3/c1-13-6-10-14-5-9(18-10)11-7(12)3-2-4-8(11)15(16)17/h2-5,13H,6H2,1H3
InChIKeyPAUGWYDSVVRLGM-UHFFFAOYSA-N
XLogP2.62
TPSA81.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.67
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(2-chloro-6-nitrophenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 65183933
1-[5-(2-chloro-6-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 65178721
N-methyl-1-[5-(3-methyl-2-nitrophenyl)-1,3-oxazol-2-yl]methanamine
CID 65179157
1-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine;hydrochloride
CID 3049278
2-methyl-N-[[5-(2-methyl-3-nitrophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65183975
N-methyl-1-[5-(2,3,4,5,6-pentafluorophenyl)-1,3-oxazol-2-yl]methanamine
CID 65179268
N-methyl-3-[5-(2-methyl-3-nitrophenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65182043
3-[5-(2,6-difluoro-3-nitrophenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
CID 79760085
1-[5-[(2-chloro-6-nitrophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 79781811
N-[[5-(4-chloro-2-nitrophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65183858
2-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 65182949
[5-(2-methyl-3-nitrophenyl)-1,3-oxazol-2-yl]methanamine
CID 65179785

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-chloro-6-nitrophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(2-chloro-6-nitrophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine (CID 65178511) is 1-[5-(2-chloro-6-nitrophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(2-chloro-6-nitrophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(2-chloro-6-nitrophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine is CNCc1ncc(-c2c(Cl)cccc2[N+](=O)[O-])o1.
What is the InChIKey of 1-[5-(2-chloro-6-nitrophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine?
The InChIKey is PAUGWYDSVVRLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O3/c1-13-6-10-14-5-9(18-10)11-7(12)3-2-4-8(11)15(16)17/h2-5,13H,6H2,1H3.
What are the key properties of 1-[5-(2-chloro-6-nitrophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine?
1-[5-(2-chloro-6-nitrophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine has a molecular weight of 267.67 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-chloro-6-nitrophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 65178511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).