5-(4-methoxyphenyl)-2-(4-nitrophenyl)-1,3-oxazol-4-amine

C16H13N3O4 — CID 14269277

IUPAC5-(4-methoxyphenyl)-2-(4-nitrophenyl)-1,3-oxazol-4-amine
SMILESCOc1ccc(-c2oc(-c3ccc([N+](=O)[O-])cc3)nc2N)cc1
InChIInChI=1S/C16H13N3O4/c1-22-13-8-4-10(5-9-13)14-15(17)18-16(23-14)11-2-6-12(7-3-11)19(20)21/h2-9H,17H2,1H3
InChIKeyJICGAJDBSTXWMN-UHFFFAOYSA-N
MW311.30 g/mol
LogP3.51
Rot. Bonds4

About 5-(4-methoxyphenyl)-2-(4-nitrophenyl)-1,3-oxazol-4-amine

5-(4-methoxyphenyl)-2-(4-nitrophenyl)-1,3-oxazol-4-amine (PubChem CID 14269277) has the molecular formula C16H13N3O4 and a molecular weight of 311.30 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-2-(4-nitrophenyl)-1,3-oxazol-4-amine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-2-(4-nitrophenyl)-1,3-oxazol-4-amine
PubChem CID14269277
Molecular FormulaC16H13N3O4
Molecular Weight311.30 g/mol
Exact Mass311.09
IUPAC Name5-(4-methoxyphenyl)-2-(4-nitrophenyl)-1,3-oxazol-4-amine
SMILESCOc1ccc(-c2oc(-c3ccc([N+](=O)[O-])cc3)nc2N)cc1
InChIInChI=1S/C16H13N3O4/c1-22-13-8-4-10(5-9-13)14-15(17)18-16(23-14)11-2-6-12(7-3-11)19(20)21/h2-9H,17H2,1H3
InChIKeyJICGAJDBSTXWMN-UHFFFAOYSA-N
XLogP3.51
TPSA104.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 53.51
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'}

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Related Compounds

2-(4-methoxyphenyl)-6-nitro-1,3-benzoxazole
CID 887499
5-methoxy-2-(4-nitrophenyl)-1,3-oxazole
CID 11252973
2-(4-methoxyphenyl)-4-(4-nitrophenyl)pyridine
CID 141380203
(4-methoxyphenyl) 2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 46266344
2-amino-4-(4-methoxyphenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 793424
1,3-dimethoxy-5-(4-nitrophenyl)benzene
CID 101434697
2-(4-methoxyphenyl)-5-(2-nitrophenyl)-1,3-oxazole-4-carbaldehyde
CID 175523717
2-(4-methoxyphenyl)-3-(4-nitrophenyl)-2H-azirine
CID 102257808
3-(3-methoxyphenyl)-5-(4-nitrophenyl)-1,2,4-oxadiazole
CID 2983228
5-methoxy-2-(4-nitrophenyl)-1-benzofuran
CID 11680584
5-[4-[(4-methoxyphenoxy)methyl]phenyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole
CID 19330837
1-chloroethanol;1-methoxy-4-nitrobenzene
CID 145362894

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-2-(4-nitrophenyl)-1,3-oxazol-4-amine?
The IUPAC name of 5-(4-methoxyphenyl)-2-(4-nitrophenyl)-1,3-oxazol-4-amine (CID 14269277) is 5-(4-methoxyphenyl)-2-(4-nitrophenyl)-1,3-oxazol-4-amine.
What is the SMILES notation for 5-(4-methoxyphenyl)-2-(4-nitrophenyl)-1,3-oxazol-4-amine?
The canonical SMILES for 5-(4-methoxyphenyl)-2-(4-nitrophenyl)-1,3-oxazol-4-amine is COc1ccc(-c2oc(-c3ccc([N+](=O)[O-])cc3)nc2N)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-2-(4-nitrophenyl)-1,3-oxazol-4-amine?
The InChIKey is JICGAJDBSTXWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4/c1-22-13-8-4-10(5-9-13)14-15(17)18-16(23-14)11-2-6-12(7-3-11)19(20)21/h2-9H,17H2,1H3.
What are the key properties of 5-(4-methoxyphenyl)-2-(4-nitrophenyl)-1,3-oxazol-4-amine?
5-(4-methoxyphenyl)-2-(4-nitrophenyl)-1,3-oxazol-4-amine has a molecular weight of 311.30 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-2-(4-nitrophenyl)-1,3-oxazol-4-amine is sourced from PubChem (CID 14269277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).